2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32 (10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28 (10) and 78.81 (7)°]. The crystal packing is dominated by C-H⋯O contacts and π-π inter-actions [ring centroid distance = 3.6902 (12) Å].

Related literature

For the use of mol­ecules related to the title compound as synthetic precursors, see: Laliberte et al. (2003 ▶); Fujihara et al. (2007 ▶); Li et al. (2008a ▶,b ▶).

Experimental

Crystal data

C26H30O9S3

M = 582.68

Triclinic,

a = 10.2055 (3) Å

b = 12.4029 (3) Å

c = 12.7993 (4) Å

α = 66.868 (2)°

β = 78.370 (2)°

γ = 68.085 (2)°

V = 1379.32 (7) Å3

Z = 2

Mo Kα radiation

μ = 0.32 mm−1

T = 100 K

0.30 × 0.28 × 0.28 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.636, T max = 0.746

13040 measured reflections

6305 independent reflections

5369 reflections with I > 2σ(I)

R int = 0.031

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.117

S = 0.99

6303 reflections

347 parameters

H-atom parameters constrained

Δρmax = 0.44 e Å−3

Δρmin = −0.45 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811024664/hg5057sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811024664/hg5057Isup2.hkl

Supplementary material file. DOI: 10.1107/S1600536811024664/hg5057Isup3.cml

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

C26H30O9S3	Z = 2
Mr = 582.68	F(000) = 612
Triclinic, P1	Dx = 1.403 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.2055 (3) Å	Cell parameters from 5679 reflections
b = 12.4029 (3) Å	θ = 2.4–30.6°
c = 12.7993 (4) Å	µ = 0.32 mm−1
α = 66.868 (2)°	T = 100 K
β = 78.370 (2)°	Block, yellow
γ = 68.085 (2)°	0.30 × 0.28 × 0.28 mm
V = 1379.32 (7) Å3

Bruker SMART APEX diffractometer	6305 independent reflections
Radiation source: fine-focus sealed tube	5369 reflections with I > 2σ(I)
graphite	Rint = 0.031
ω scans	θmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→13
Tmin = 0.636, Tmax = 0.746	k = −16→16
13040 measured reflections	l = −16→16

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.117	H-atom parameters constrained
S = 0.99	w = 1/[σ2(Fo2) + (0.0689P)2 + 0.6349P] where P = (Fo2 + 2Fc2)/3
6303 reflections	(Δ/σ)max = 0.001
347 parameters	Δρmax = 0.44 e Å−3
0 restraints	Δρmin = −0.45 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
S1	0.58792 (4)	0.97996 (4)	0.76513 (3)	0.01532 (11)
S2	0.63629 (5)	0.55361 (4)	1.15173 (4)	0.01764 (12)
S3	0.03815 (4)	0.75579 (4)	1.20789 (4)	0.01627 (11)
O1	0.52171 (13)	0.87644 (11)	0.84519 (10)	0.0162 (3)
O2	0.61934 (13)	1.03502 (12)	0.83218 (11)	0.0202 (3)
O3	0.69823 (13)	0.91966 (12)	0.69899 (11)	0.0214 (3)
O4	0.49589 (13)	0.66725 (11)	1.11596 (10)	0.0164 (3)
O5	0.61861 (14)	0.44646 (11)	1.14753 (11)	0.0221 (3)
O6	0.66462 (15)	0.55276 (12)	1.25683 (11)	0.0247 (3)
O7	0.16219 (13)	0.74483 (11)	1.11229 (11)	0.0173 (3)
O8	−0.07307 (13)	0.87019 (12)	1.16416 (11)	0.0217 (3)
O9	0.01154 (14)	0.64130 (12)	1.24502 (11)	0.0221 (3)
C1	0.33373 (18)	0.81398 (15)	0.97005 (14)	0.0148 (3)
C2	0.41265 (18)	0.90728 (15)	0.93184 (14)	0.0156 (3)
H2A	0.3469	0.9927	0.8998	0.019*
H2B	0.4563	0.9016	0.9971	0.019*
C3	0.43504 (18)	0.68148 (15)	1.01508 (14)	0.0152 (3)
H3A	0.3835	0.6216	1.0353	0.018*
H3B	0.5111	0.6653	0.9561	0.018*
C4	0.22335 (18)	0.84493 (15)	1.06289 (15)	0.0166 (3)
H4A	0.2681	0.8502	1.1218	0.020*
H4B	0.1492	0.9254	1.0302	0.020*
C5	0.26204 (19)	0.82440 (16)	0.87058 (15)	0.0190 (4)
H5A	0.2030	0.7707	0.8988	0.029*
H5B	0.3345	0.7986	0.8141	0.029*
H5C	0.2028	0.9106	0.8352	0.029*
C6	0.45022 (18)	1.08899 (16)	0.67862 (14)	0.0156 (3)
C7	0.39715 (19)	1.21074 (16)	0.67582 (15)	0.0190 (4)
H7	0.4322	1.2353	0.7232	0.023*
C8	0.2920 (2)	1.29600 (17)	0.60257 (16)	0.0214 (4)
H8	0.2547	1.3793	0.6004	0.026*
C9	0.2403 (2)	1.26130 (17)	0.53222 (15)	0.0210 (4)
C10	0.2951 (2)	1.13761 (17)	0.53788 (15)	0.0214 (4)
H10	0.2598	1.1125	0.4911	0.026*
C11	0.39924 (19)	1.05159 (17)	0.61026 (15)	0.0196 (4)
H11	0.4357	0.9679	0.6134	0.023*
C12	0.1290 (2)	1.3539 (2)	0.45091 (18)	0.0309 (5)
H12A	0.1033	1.4355	0.4576	0.046*
H12B	0.0451	1.3277	0.4692	0.046*
H12C	0.1660	1.3590	0.3729	0.046*
C13	0.75954 (18)	0.59940 (16)	1.04278 (15)	0.0182 (4)
C14	0.81123 (19)	0.54084 (16)	0.96273 (16)	0.0201 (4)
H14	0.7862	0.4714	0.9707	0.024*
C15	0.89955 (19)	0.58496 (18)	0.87131 (17)	0.0229 (4)
H15	0.9366	0.5443	0.8172	0.027*
C16	0.93463 (19)	0.68791 (18)	0.85776 (17)	0.0237 (4)
C17	0.8845 (2)	0.74337 (18)	0.94043 (18)	0.0246 (4)
H17	0.9105	0.8122	0.9330	0.030*
C18	0.79780 (19)	0.69997 (17)	1.03297 (17)	0.0214 (4)
H18	0.7647	0.7381	1.0891	0.026*
C19	1.0234 (2)	0.7391 (2)	0.75402 (19)	0.0309 (5)
H19A	1.0906	0.6711	0.7302	0.046*
H19B	1.0755	0.7811	0.7722	0.046*
H19C	0.9620	0.7984	0.6921	0.046*
C20	0.11684 (19)	0.76273 (16)	1.31382 (15)	0.0178 (3)
C21	0.2287 (2)	0.66056 (18)	1.36842 (18)	0.0257 (4)
H21	0.2603	0.5876	1.3496	0.031*
C22	0.2925 (2)	0.66671 (19)	1.44988 (18)	0.0292 (4)
H22	0.3678	0.5967	1.4880	0.035*
C23	0.2490 (2)	0.77374 (19)	1.47790 (16)	0.0250 (4)
C24	0.1370 (2)	0.87365 (18)	1.42254 (16)	0.0251 (4)
H24	0.1051	0.9467	1.4412	0.030*
C25	0.0706 (2)	0.86935 (17)	1.34066 (16)	0.0227 (4)
H25	−0.0058	0.9387	1.3034	0.027*
C26	0.3242 (2)	0.7802 (2)	1.56393 (17)	0.0331 (5)
H26A	0.4148	0.7925	1.5292	0.050*
H26B	0.3415	0.7027	1.6296	0.050*
H26C	0.2655	0.8497	1.5890	0.050*

	U11	U22	U33	U12	U13	U23
S1	0.0169 (2)	0.0172 (2)	0.0134 (2)	−0.00673 (16)	−0.00021 (15)	−0.00623 (16)
S2	0.0226 (2)	0.0123 (2)	0.0173 (2)	−0.00169 (16)	−0.00767 (17)	−0.00503 (16)
S3	0.0153 (2)	0.0155 (2)	0.0178 (2)	−0.00525 (16)	−0.00088 (16)	−0.00542 (17)
O1	0.0194 (6)	0.0150 (6)	0.0148 (6)	−0.0057 (5)	0.0015 (5)	−0.0069 (5)
O2	0.0243 (7)	0.0240 (6)	0.0186 (6)	−0.0125 (5)	−0.0027 (5)	−0.0090 (5)
O3	0.0184 (6)	0.0251 (7)	0.0196 (6)	−0.0054 (5)	0.0018 (5)	−0.0098 (5)
O4	0.0190 (6)	0.0138 (6)	0.0157 (6)	−0.0016 (5)	−0.0058 (5)	−0.0058 (5)
O5	0.0288 (7)	0.0132 (6)	0.0244 (7)	−0.0042 (5)	−0.0077 (5)	−0.0061 (5)
O6	0.0349 (8)	0.0193 (6)	0.0192 (7)	−0.0033 (6)	−0.0123 (6)	−0.0060 (5)
O7	0.0179 (6)	0.0159 (6)	0.0202 (6)	−0.0077 (5)	0.0019 (5)	−0.0079 (5)
O8	0.0169 (6)	0.0211 (6)	0.0242 (7)	−0.0027 (5)	−0.0027 (5)	−0.0075 (5)
O9	0.0234 (7)	0.0213 (6)	0.0241 (7)	−0.0117 (5)	0.0004 (5)	−0.0074 (5)
C1	0.0162 (8)	0.0133 (7)	0.0151 (8)	−0.0041 (6)	−0.0025 (6)	−0.0051 (6)
C2	0.0184 (8)	0.0151 (8)	0.0130 (8)	−0.0051 (6)	0.0018 (6)	−0.0064 (6)
C3	0.0184 (8)	0.0138 (7)	0.0151 (8)	−0.0040 (6)	−0.0048 (6)	−0.0062 (6)
C4	0.0175 (8)	0.0131 (8)	0.0198 (8)	−0.0066 (6)	0.0008 (7)	−0.0059 (7)
C5	0.0207 (9)	0.0169 (8)	0.0203 (9)	−0.0030 (7)	−0.0063 (7)	−0.0079 (7)
C6	0.0178 (8)	0.0175 (8)	0.0115 (8)	−0.0066 (6)	0.0007 (6)	−0.0052 (6)
C7	0.0247 (9)	0.0187 (8)	0.0164 (8)	−0.0093 (7)	0.0011 (7)	−0.0080 (7)
C8	0.0257 (9)	0.0166 (8)	0.0199 (9)	−0.0063 (7)	0.0015 (7)	−0.0064 (7)
C9	0.0227 (9)	0.0218 (9)	0.0147 (8)	−0.0082 (7)	0.0000 (7)	−0.0024 (7)
C10	0.0244 (9)	0.0269 (9)	0.0162 (8)	−0.0097 (8)	−0.0025 (7)	−0.0091 (7)
C11	0.0233 (9)	0.0192 (8)	0.0177 (9)	−0.0071 (7)	−0.0003 (7)	−0.0085 (7)
C12	0.0318 (11)	0.0291 (10)	0.0245 (10)	−0.0062 (9)	−0.0080 (8)	−0.0027 (8)
C13	0.0177 (8)	0.0160 (8)	0.0208 (9)	−0.0013 (6)	−0.0073 (7)	−0.0075 (7)
C14	0.0192 (9)	0.0175 (8)	0.0238 (9)	−0.0007 (7)	−0.0091 (7)	−0.0086 (7)
C15	0.0184 (9)	0.0250 (9)	0.0245 (10)	0.0003 (7)	−0.0087 (7)	−0.0114 (8)
C16	0.0154 (8)	0.0261 (9)	0.0263 (10)	−0.0017 (7)	−0.0082 (7)	−0.0074 (8)
C17	0.0196 (9)	0.0226 (9)	0.0342 (11)	−0.0055 (7)	−0.0082 (8)	−0.0107 (8)
C18	0.0188 (9)	0.0200 (9)	0.0284 (10)	−0.0027 (7)	−0.0071 (7)	−0.0123 (8)
C19	0.0193 (10)	0.0401 (12)	0.0323 (11)	−0.0104 (9)	−0.0014 (8)	−0.0111 (10)
C20	0.0203 (8)	0.0187 (8)	0.0160 (8)	−0.0089 (7)	0.0004 (7)	−0.0061 (7)
C21	0.0262 (10)	0.0205 (9)	0.0292 (10)	−0.0035 (8)	−0.0086 (8)	−0.0083 (8)
C22	0.0301 (11)	0.0258 (10)	0.0287 (11)	−0.0073 (8)	−0.0119 (8)	−0.0035 (8)
C23	0.0305 (10)	0.0334 (10)	0.0164 (9)	−0.0207 (9)	0.0029 (8)	−0.0066 (8)
C24	0.0321 (10)	0.0264 (10)	0.0211 (9)	−0.0141 (8)	0.0050 (8)	−0.0118 (8)
C25	0.0253 (9)	0.0205 (9)	0.0214 (9)	−0.0074 (7)	0.0014 (7)	−0.0077 (7)
C26	0.0409 (12)	0.0497 (13)	0.0188 (10)	−0.0300 (11)	0.0008 (9)	−0.0092 (9)

S1—O3	1.4241 (13)	C9—C12	1.502 (3)
S1—O2	1.4284 (13)	C10—C11	1.379 (3)
S1—O1	1.5780 (12)	C10—H10	0.9500
S1—C6	1.7498 (18)	C11—H11	0.9500
S2—O5	1.4286 (13)	C12—H12A	0.9800
S2—O6	1.4270 (13)	C12—H12B	0.9800
S2—O4	1.5809 (12)	C12—H12C	0.9800
S2—C13	1.7473 (19)	C13—C14	1.392 (2)
S3—O9	1.4219 (13)	C13—C18	1.395 (2)
S3—O8	1.4299 (13)	C14—C15	1.386 (3)
S3—O7	1.5799 (12)	C14—H14	0.9500
S3—C20	1.7530 (18)	C15—C16	1.389 (3)
O1—C2	1.4605 (19)	C15—H15	0.9500
O4—C3	1.4650 (19)	C16—C17	1.395 (3)
O7—C4	1.4606 (19)	C16—C19	1.507 (3)
C1—C2	1.523 (2)	C17—C18	1.381 (3)
C1—C4	1.525 (2)	C17—H17	0.9500
C1—C3	1.526 (2)	C18—H18	0.9500
C1—C5	1.533 (2)	C19—H19A	0.9800
C2—H2A	0.9900	C19—H19B	0.9800
C2—H2B	0.9900	C19—H19C	0.9800
C3—H3A	0.9900	C20—C25	1.384 (2)
C3—H3B	0.9900	C20—C21	1.394 (3)
C4—H4A	0.9900	C21—C22	1.375 (3)
C4—H4B	0.9900	C21—H21	0.9500
C5—H5A	0.9800	C22—C23	1.399 (3)
C5—H5B	0.9800	C22—H22	0.9500
C5—H5C	0.9800	C23—C24	1.387 (3)
C6—C11	1.391 (2)	C23—C26	1.505 (3)
C6—C7	1.389 (2)	C24—C25	1.385 (3)
C7—C8	1.389 (3)	C24—H24	0.9500
C7—H7	0.9500	C25—H25	0.9500
C8—C9	1.393 (3)	C26—H26A	0.9800
C8—H8	0.9500	C26—H26B	0.9800
C9—C10	1.400 (3)	C26—H26C	0.9800
O3—S1—O2	120.03 (8)	C10—C9—C12	120.15 (18)
O3—S1—O1	104.03 (7)	C11—C10—C9	121.12 (17)
O2—S1—O1	109.40 (7)	C11—C10—H10	119.4
O3—S1—C6	109.49 (8)	C9—C10—H10	119.4
O2—S1—C6	109.38 (8)	C10—C11—C6	119.11 (16)
O1—S1—C6	103.10 (7)	C10—C11—H11	120.4
O5—S2—O6	119.61 (8)	C6—C11—H11	120.4
O5—S2—O4	108.93 (7)	C9—C12—H12A	109.5
O6—S2—O4	104.27 (7)	C9—C12—H12B	109.5
O5—S2—C13	109.07 (8)	H12A—C12—H12B	109.5
O6—S2—C13	111.07 (9)	C9—C12—H12C	109.5
O4—S2—C13	102.39 (7)	H12A—C12—H12C	109.5
O9—S3—O8	119.98 (8)	H12B—C12—H12C	109.5
O9—S3—O7	104.01 (7)	C14—C13—C18	120.74 (18)
O8—S3—O7	108.91 (7)	C14—C13—S2	119.90 (14)
O9—S3—C20	110.37 (8)	C18—C13—S2	119.23 (14)
O8—S3—C20	109.18 (8)	C13—C14—C15	119.28 (17)
O7—S3—C20	102.94 (8)	C13—C14—H14	120.4
C2—O1—S1	117.04 (10)	C15—C14—H14	120.4
C3—O4—S2	115.37 (10)	C14—C15—C16	120.83 (18)
C4—O7—S3	117.67 (10)	C14—C15—H15	119.6
C2—C1—C4	106.13 (13)	C16—C15—H15	119.6
C2—C1—C3	110.89 (14)	C15—C16—C17	118.95 (19)
C4—C1—C3	111.03 (14)	C15—C16—C19	119.98 (18)
C2—C1—C5	110.90 (14)	C17—C16—C19	121.06 (19)
C4—C1—C5	110.44 (14)	C18—C17—C16	121.14 (18)
C3—C1—C5	107.49 (13)	C18—C17—H17	119.4
O1—C2—C1	106.76 (13)	C16—C17—H17	119.4
O1—C2—H2A	110.4	C17—C18—C13	118.99 (17)
C1—C2—H2A	110.4	C17—C18—H18	120.5
O1—C2—H2B	110.4	C13—C18—H18	120.5
C1—C2—H2B	110.4	C16—C19—H19A	109.5
H2A—C2—H2B	108.6	C16—C19—H19B	109.5
O4—C3—C1	108.11 (12)	H19A—C19—H19B	109.5
O4—C3—H3A	110.1	C16—C19—H19C	109.5
C1—C3—H3A	110.1	H19A—C19—H19C	109.5
O4—C3—H3B	110.1	H19B—C19—H19C	109.5
C1—C3—H3B	110.1	C25—C20—C21	120.65 (18)
H3A—C3—H3B	108.4	C25—C20—S3	120.30 (15)
O7—C4—C1	106.51 (13)	C21—C20—S3	119.03 (14)
O7—C4—H4A	110.4	C22—C21—C20	119.15 (18)
C1—C4—H4A	110.4	C22—C21—H21	120.4
O7—C4—H4B	110.4	C20—C21—H21	120.4
C1—C4—H4B	110.4	C21—C22—C23	121.48 (19)
H4A—C4—H4B	108.6	C21—C22—H22	119.3
C1—C5—H5A	109.5	C23—C22—H22	119.3
C1—C5—H5B	109.5	C24—C23—C22	118.02 (18)
H5A—C5—H5B	109.5	C24—C23—C26	121.39 (19)
C1—C5—H5C	109.5	C22—C23—C26	120.57 (19)
H5A—C5—H5C	109.5	C25—C24—C23	121.51 (17)
H5B—C5—H5C	109.5	C25—C24—H24	119.2
C11—C6—C7	121.17 (17)	C23—C24—H24	119.2
C11—C6—S1	118.32 (13)	C24—C25—C20	119.18 (18)
C7—C6—S1	120.47 (14)	C24—C25—H25	120.4
C6—C7—C8	118.89 (17)	C20—C25—H25	120.4
C6—C7—H7	120.6	C23—C26—H26A	109.5
C8—C7—H7	120.6	C23—C26—H26B	109.5
C9—C8—C7	121.08 (16)	H26A—C26—H26B	109.5
C9—C8—H8	119.5	C23—C26—H26C	109.5
C7—C8—H8	119.5	H26A—C26—H26C	109.5
C8—C9—C10	118.62 (17)	H26B—C26—H26C	109.5
C8—C9—C12	121.23 (17)
O3—S1—O1—C2	174.43 (11)	C7—C6—C11—C10	0.6 (3)
O2—S1—O1—C2	45.02 (13)	S1—C6—C11—C10	−177.19 (13)
C6—S1—O1—C2	−71.29 (13)	O5—S2—C13—C14	6.56 (17)
O5—S2—O4—C3	−45.30 (13)	O6—S2—C13—C14	140.46 (14)
O6—S2—O4—C3	−174.07 (11)	O4—S2—C13—C14	−108.75 (15)
C13—S2—O4—C3	70.11 (12)	O5—S2—C13—C18	−177.62 (14)
O9—S3—O7—C4	−174.81 (12)	O6—S2—C13—C18	−43.72 (16)
O8—S3—O7—C4	56.15 (13)	O4—S2—C13—C18	67.08 (15)
C20—S3—O7—C4	−59.63 (13)	C18—C13—C14—C15	−1.2 (3)
S1—O1—C2—C1	161.94 (11)	S2—C13—C14—C15	174.54 (13)
C4—C1—C2—O1	178.34 (13)	C13—C14—C15—C16	−1.2 (3)
C3—C1—C2—O1	57.66 (17)	C14—C15—C16—C17	2.8 (3)
C5—C1—C2—O1	−61.69 (17)	C14—C15—C16—C19	−176.23 (17)
S2—O4—C3—C1	−161.46 (11)	C15—C16—C17—C18	−2.0 (3)
C2—C1—C3—O4	63.10 (17)	C19—C16—C17—C18	177.03 (17)
C4—C1—C3—O4	−54.63 (18)	C16—C17—C18—C13	−0.4 (3)
C5—C1—C3—O4	−175.53 (13)	C14—C13—C18—C17	2.0 (3)
S3—O7—C4—C1	−177.15 (11)	S2—C13—C18—C17	−173.78 (14)
C2—C1—C4—O7	−171.40 (13)	O9—S3—C20—C25	−135.36 (15)
C3—C1—C4—O7	−50.81 (18)	O8—S3—C20—C25	−1.46 (18)
C5—C1—C4—O7	68.33 (17)	O7—S3—C20—C25	114.13 (15)
O3—S1—C6—C11	49.51 (16)	O9—S3—C20—C21	46.18 (17)
O2—S1—C6—C11	−177.08 (13)	O8—S3—C20—C21	−179.91 (14)
O1—S1—C6—C11	−60.76 (15)	O7—S3—C20—C21	−64.32 (16)
O3—S1—C6—C7	−128.28 (14)	C25—C20—C21—C22	0.2 (3)
O2—S1—C6—C7	5.13 (17)	S3—C20—C21—C22	178.66 (16)
O1—S1—C6—C7	121.45 (14)	C20—C21—C22—C23	−0.9 (3)
C11—C6—C7—C8	−0.4 (3)	C21—C22—C23—C24	1.2 (3)
S1—C6—C7—C8	177.30 (13)	C21—C22—C23—C26	−177.53 (19)
C6—C7—C8—C9	−0.4 (3)	C22—C23—C24—C25	−0.9 (3)
C7—C8—C9—C10	1.0 (3)	C26—C23—C24—C25	177.89 (18)
C7—C8—C9—C12	−178.54 (17)	C23—C24—C25—C20	0.2 (3)
C8—C9—C10—C11	−0.8 (3)	C21—C20—C25—C24	0.1 (3)
C12—C9—C10—C11	178.70 (17)	S3—C20—C25—C24	−178.28 (14)
C9—C10—C11—C6	0.1 (3)

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2b···O2i	0.99	2.49	3.297 (2)	138
C4—H4a···O2i	0.99	2.42	3.290 (2)	147
C5—H5c···O8ii	0.98	2.54	3.440 (2)	152
C7—H7···O6i	0.95	2.54	3.183 (2)	125
C10—H10···O3iii	0.95	2.54	3.358 (2)	144
C15—H15···O9iv	0.95	2.56	3.428 (3)	151

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C2—H2b⋯O2i	0.99	2.49	3.297 (2)	138
C4—H4a⋯O2i	0.99	2.42	3.290 (2)	147
C5—H5c⋯O8ii	0.98	2.54	3.440 (2)	152
C7—H7⋯O6i	0.95	2.54	3.183 (2)	125
C10—H10⋯O3iii	0.95	2.54	3.358 (2)	144
C15—H15⋯O9iv	0.95	2.56	3.428 (3)	151

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .