8-(Biphenyl-4-yl)-8-hydroxy-penta-cyclo-[5.4.0.0.0.0]undecan-11-one ethyl-ene ketal.

The title compound, C(25)H(24)O(3), synthesized as a potential chiral catalyst, exhibits a range of C-C bond lengths in the penta-cyclo-undecane cage between 1.5144 (18) and 1.5856 (16) Å. The two benzene rings are not planar with respect to each other, but rather are twisted at a torsion angle of 34.67 (17)°. The mol-ecule has an intra-molecular O-H⋯O inter-action and participates in two C-H⋯O inter-molecular inter-actions to form a one-dimensional chain.

Related literature

For related literature, see: Flippen-Anderson et al. (1991 ▶); Linden et al. (2005 ▶); Kruger et al. (2005 ▶, 2006 ▶); Boyle et al. (2007 ▶).

Experimental

Crystal data

C25H24O3

M = 372.44

Monoclinic,

a = 10.2527 (2) Å

b = 16.9832 (3) Å

c = 10.3650 (2) Å

β = 90.5760 (10)°

V = 1804.70 (6) Å3

Z = 4

Mo Kα radiation

μ = 0.09 mm−1

T = 173 (2) K

0.47 × 0.45 × 0.37 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: none

27563 measured reflections

3904 independent reflections

3358 reflections with I > 2σ(I)

R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.109

S = 1.04

3904 reflections

257 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.31 e Å−3

Δρmin = −0.24 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT-Plus (Bruker, 1999 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Bruker, 1999 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: Mercury (Macrae et al., 2006 ▶) and WinGX (Farrugia, 1999 ▶); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807065920/gg2055sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807065920/gg2055Isup2.hkl

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

C25H24O3	F000 = 792
Mr = 372.44	Dx = 1.371 Mg m−3
Monoclinic, P21/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 6796 reflections
a = 10.2527 (2) Å	θ = 2.3–28.5º
b = 16.9832 (3) Å	µ = 0.09 mm−1
c = 10.3650 (2) Å	T = 173 (2) K
β = 90.5760 (10)º	Block, colourless
V = 1804.70 (6) Å3	0.47 × 0.45 × 0.37 mm
Z = 4

Bruker APEXII CCD area-detector diffractometer	3358 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.037
Monochromator: graphite	θmax = 27.0º
T = 173(2) K	θmin = 2.0º
φ and ω scans	h = −13→13
Absorption correction: none	k = −21→21
27563 measured reflections	l = −13→13
3904 independent reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.040	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.109	w = 1/[σ2(Fo2) + (0.0579P)2 + 0.5851P] where P = (Fo2 + 2Fc2)/3
S = 1.04	(Δ/σ)max < 0.001
3904 reflections	Δρmax = 0.31 e Å−3
257 parameters	Δρmin = −0.24 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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 > σ(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
H3H	0.2134 (18)	−0.0511 (11)	0.4718 (18)	0.045 (5)*
C1	0.27294 (12)	0.04517 (7)	0.25422 (12)	0.0243 (3)
H1	0.3241	0.0168	0.1870	0.029*
C2	0.25040 (13)	0.13435 (8)	0.22877 (13)	0.0286 (3)
H2	0.2840	0.1566	0.1462	0.034*
C3	0.10706 (13)	0.15304 (8)	0.26439 (13)	0.0316 (3)
H3	0.0462	0.1613	0.1896	0.038*
C4	0.12017 (15)	0.22221 (8)	0.35620 (15)	0.0365 (3)
H4B	0.1570	0.2695	0.3144	0.044*
H4A	0.0371	0.2355	0.3989	0.044*
C5	0.21666 (13)	0.18202 (7)	0.44640 (13)	0.0288 (3)
H5	0.2460	0.2142	0.5221	0.035*
C6	0.32659 (12)	0.15486 (7)	0.35544 (12)	0.0267 (3)
H6	0.4050	0.1895	0.3480	0.032*
C7	0.35006 (11)	0.06574 (7)	0.38116 (11)	0.0224 (2)
H7	0.4436	0.0491	0.3825	0.027*
C8	0.27605 (11)	0.05050 (7)	0.50638 (11)	0.0208 (2)
C9	0.15361 (11)	0.10184 (7)	0.48020 (12)	0.0242 (3)
H9	0.0956	0.1053	0.5570	0.029*
C10	0.07520 (12)	0.08160 (8)	0.35180 (12)	0.0268 (3)
H10	−0.0204	0.0747	0.3661	0.032*
C11	0.13428 (12)	0.01565 (7)	0.27329 (12)	0.0252 (3)
C12	0.08855 (16)	−0.06659 (9)	0.10563 (14)	0.0370 (3)
H12A	0.1730	−0.0701	0.0605	0.044*
H12B	0.0177	−0.0832	0.0460	0.044*
C13	0.08947 (14)	−0.11551 (8)	0.22633 (13)	0.0321 (3)
H13A	0.0026	−0.1390	0.2413	0.038*
H13B	0.1547	−0.1583	0.2207	0.038*
C14	0.34966 (11)	0.08247 (7)	0.62415 (11)	0.0215 (2)
C15	0.47065 (12)	0.11841 (8)	0.61578 (12)	0.0274 (3)
H15	0.5085	0.1264	0.5335	0.033*
C16	0.53703 (12)	0.14274 (8)	0.72545 (12)	0.0284 (3)
H16	0.6196	0.1675	0.7168	0.034*
C17	0.48648 (12)	0.13201 (7)	0.84792 (11)	0.0234 (3)
C18	0.36431 (12)	0.09680 (7)	0.85637 (12)	0.0254 (3)
H18	0.3264	0.0891	0.9387	0.031*
C19	0.29713 (12)	0.07281 (7)	0.74651 (12)	0.0245 (3)
H19	0.2136	0.0493	0.7549	0.029*
C20	0.56860 (11)	0.15326 (7)	0.96176 (12)	0.0237 (3)
C21	0.65359 (12)	0.21726 (8)	0.95569 (12)	0.0276 (3)
H21	0.6496	0.2517	0.8835	0.033*
C22	0.74373 (13)	0.23134 (8)	1.05342 (13)	0.0316 (3)
H22	0.8027	0.2742	1.0467	0.038*
C23	0.74797 (13)	0.18301 (8)	1.16083 (13)	0.0319 (3)
H23	0.8111	0.1919	1.2269	0.038*
C24	0.66019 (13)	0.12197 (8)	1.17160 (13)	0.0315 (3)
H24	0.6603	0.0902	1.2470	0.038*
C25	0.57148 (13)	0.10685 (8)	1.07246 (12)	0.0280 (3)
H25	0.5120	0.0643	1.0803	0.034*
O1	0.06660 (10)	0.01105 (6)	0.15323 (9)	0.0329 (2)
O2	0.12307 (9)	−0.06169 (5)	0.32656 (8)	0.0302 (2)
O3	0.25380 (9)	−0.02990 (5)	0.53817 (8)	0.0260 (2)

	U11	U22	U33	U12	U13	U23
C1	0.0280 (6)	0.0256 (6)	0.0193 (6)	0.0020 (5)	0.0011 (5)	0.0009 (5)
C2	0.0352 (7)	0.0264 (6)	0.0242 (6)	0.0020 (5)	0.0004 (5)	0.0051 (5)
C3	0.0322 (7)	0.0296 (7)	0.0328 (7)	0.0073 (5)	−0.0071 (5)	0.0029 (5)
C4	0.0398 (7)	0.0280 (7)	0.0417 (8)	0.0105 (6)	−0.0041 (6)	0.0013 (6)
C5	0.0344 (7)	0.0218 (6)	0.0302 (7)	0.0045 (5)	−0.0013 (5)	−0.0027 (5)
C6	0.0276 (6)	0.0238 (6)	0.0288 (7)	−0.0019 (5)	−0.0007 (5)	0.0048 (5)
C7	0.0221 (5)	0.0246 (6)	0.0205 (6)	0.0005 (4)	0.0006 (4)	0.0010 (4)
C8	0.0219 (5)	0.0207 (5)	0.0198 (6)	−0.0003 (4)	−0.0001 (4)	0.0011 (4)
C9	0.0225 (6)	0.0268 (6)	0.0232 (6)	0.0036 (5)	−0.0002 (5)	−0.0027 (5)
C10	0.0227 (6)	0.0309 (6)	0.0266 (6)	0.0032 (5)	−0.0036 (5)	−0.0017 (5)
C11	0.0292 (6)	0.0264 (6)	0.0200 (6)	0.0001 (5)	−0.0053 (5)	0.0012 (5)
C12	0.0484 (8)	0.0357 (7)	0.0268 (7)	0.0029 (6)	−0.0085 (6)	−0.0061 (6)
C13	0.0376 (7)	0.0304 (7)	0.0281 (7)	−0.0008 (5)	−0.0038 (5)	−0.0082 (5)
C14	0.0232 (5)	0.0208 (5)	0.0207 (6)	0.0020 (4)	−0.0011 (4)	0.0002 (4)
C15	0.0274 (6)	0.0339 (7)	0.0209 (6)	−0.0046 (5)	0.0017 (5)	0.0014 (5)
C16	0.0255 (6)	0.0347 (7)	0.0248 (6)	−0.0071 (5)	−0.0006 (5)	0.0010 (5)
C17	0.0262 (6)	0.0219 (6)	0.0221 (6)	0.0020 (4)	−0.0015 (5)	−0.0004 (4)
C18	0.0272 (6)	0.0288 (6)	0.0204 (6)	0.0007 (5)	0.0037 (5)	−0.0001 (5)
C19	0.0216 (5)	0.0270 (6)	0.0250 (6)	−0.0011 (4)	0.0013 (5)	−0.0003 (5)
C20	0.0240 (6)	0.0252 (6)	0.0220 (6)	0.0030 (4)	0.0003 (5)	−0.0030 (5)
C21	0.0315 (6)	0.0279 (6)	0.0234 (6)	−0.0002 (5)	0.0013 (5)	−0.0018 (5)
C22	0.0300 (6)	0.0331 (7)	0.0317 (7)	−0.0038 (5)	0.0017 (5)	−0.0093 (5)
C23	0.0294 (6)	0.0396 (7)	0.0266 (7)	0.0066 (5)	−0.0054 (5)	−0.0118 (5)
C24	0.0380 (7)	0.0339 (7)	0.0224 (6)	0.0077 (6)	−0.0024 (5)	−0.0012 (5)
C25	0.0311 (6)	0.0277 (6)	0.0252 (6)	0.0002 (5)	0.0006 (5)	−0.0002 (5)
O1	0.0400 (5)	0.0333 (5)	0.0252 (5)	0.0037 (4)	−0.0122 (4)	−0.0026 (4)
O2	0.0414 (5)	0.0256 (5)	0.0233 (5)	−0.0076 (4)	−0.0066 (4)	−0.0006 (4)
O3	0.0343 (5)	0.0222 (4)	0.0214 (4)	−0.0040 (3)	−0.0041 (4)	0.0024 (3)

C1—C11	1.5222 (17)	C12—C13	1.502 (2)
C1—C2	1.5542 (17)	C12—H12A	0.9900
C1—C7	1.5677 (16)	C12—H12B	0.9900
C1—H1	1.0000	C13—O2	1.4234 (15)
C2—C3	1.5517 (18)	C13—H13A	0.9900
C2—C6	1.5603 (17)	C13—H13B	0.9900
C2—H2	1.0000	C14—C15	1.3860 (17)
C3—C4	1.5169 (19)	C14—C19	1.3925 (17)
C3—C10	1.5510 (18)	C15—C16	1.3823 (17)
C3—H3	1.0000	C15—H15	0.9500
C4—C5	1.5166 (18)	C16—C17	1.3879 (18)
C4—H4B	0.9900	C16—H16	0.9500
C4—H4A	0.9900	C17—C18	1.3917 (17)
C5—C6	1.5470 (18)	C17—C20	1.4871 (16)
C5—C9	1.5490 (18)	C18—C19	1.3861 (17)
C5—H5	1.0000	C18—H18	0.9500
C6—C7	1.5551 (16)	C19—H19	0.9500
C6—H6	1.0000	C20—C25	1.3921 (18)
C7—C8	1.5321 (16)	C20—C21	1.3949 (18)
C7—H7	1.0000	C21—C22	1.3851 (18)
C8—O3	1.4236 (14)	C21—H21	0.9500
C8—C14	1.5284 (15)	C22—C23	1.383 (2)
C8—C9	1.5502 (16)	C22—H22	0.9500
C9—C10	1.5856 (16)	C23—C24	1.378 (2)
C9—H9	1.0000	C23—H23	0.9500
C10—C11	1.5144 (17)	C24—C25	1.3893 (18)
C10—H10	1.0000	C24—H24	0.9500
C11—O1	1.4209 (14)	C25—H25	0.9500
C11—O2	1.4299 (15)	O3—H3H	0.876 (19)
C12—O1	1.4265 (17)
C11—C1—C2	101.86 (10)	C9—C10—H10	113.0
C11—C1—C7	115.36 (10)	O1—C11—O2	104.31 (9)
C2—C1—C7	89.89 (9)	O1—C11—C10	108.47 (10)
C11—C1—H1	115.4	O2—C11—C10	115.96 (10)
C2—C1—H1	115.4	O1—C11—C1	110.66 (10)
C7—C1—H1	115.4	O2—C11—C1	115.56 (10)
C3—C2—C1	107.37 (10)	C10—C11—C1	101.85 (10)
C3—C2—C6	102.79 (10)	O1—C12—C13	102.88 (11)
C1—C2—C6	90.14 (9)	O1—C12—H12A	111.2
C3—C2—H2	117.5	C13—C12—H12A	111.2
C1—C2—H2	117.5	O1—C12—H12B	111.2
C6—C2—H2	117.5	C13—C12—H12B	111.2
C4—C3—C10	104.90 (11)	H12A—C12—H12B	109.1
C4—C3—C2	103.27 (11)	O2—C13—C12	104.61 (11)
C10—C3—C2	100.63 (10)	O2—C13—H13A	110.8
C4—C3—H3	115.4	C12—C13—H13A	110.8
C10—C3—H3	115.4	O2—C13—H13B	110.8
C2—C3—H3	115.4	C12—C13—H13B	110.8
C5—C4—C3	95.24 (10)	H13A—C13—H13B	108.9
C5—C4—H4B	112.7	C15—C14—C19	117.61 (11)
C3—C4—H4B	112.7	C15—C14—C8	122.78 (11)
C5—C4—H4A	112.7	C19—C14—C8	119.55 (10)
C3—C4—H4A	112.7	C16—C15—C14	120.91 (12)
H4B—C4—H4A	110.2	C16—C15—H15	119.5
C4—C5—C6	103.49 (11)	C14—C15—H15	119.5
C4—C5—C9	105.31 (11)	C15—C16—C17	121.85 (12)
C6—C5—C9	100.60 (9)	C15—C16—H16	119.1
C4—C5—H5	115.2	C17—C16—H16	119.1
C6—C5—H5	115.2	C16—C17—C18	117.30 (11)
C9—C5—H5	115.2	C16—C17—C20	118.70 (11)
C5—C6—C7	107.35 (10)	C18—C17—C20	123.85 (11)
C5—C6—C2	102.58 (10)	C19—C18—C17	120.98 (11)
C7—C6—C2	90.13 (9)	C19—C18—H18	119.5
C5—C6—H6	117.6	C17—C18—H18	119.5
C7—C6—H6	117.6	C18—C19—C14	121.34 (11)
C2—C6—H6	117.6	C18—C19—H19	119.3
C8—C7—C6	103.45 (9)	C14—C19—H19	119.3
C8—C7—C1	115.05 (9)	C25—C20—C21	118.05 (11)
C6—C7—C1	89.83 (9)	C25—C20—C17	121.59 (11)
C8—C7—H7	115.1	C21—C20—C17	120.14 (11)
C6—C7—H7	115.1	C22—C21—C20	120.93 (12)
C1—C7—H7	115.1	C22—C21—H21	119.5
O3—C8—C14	103.59 (9)	C20—C21—H21	119.5
O3—C8—C7	116.11 (10)	C23—C22—C21	120.09 (12)
C14—C8—C7	111.83 (9)	C23—C22—H22	120.0
O3—C8—C9	116.65 (9)	C21—C22—H22	120.0
C14—C8—C9	109.42 (9)	C24—C23—C22	119.75 (12)
C7—C8—C9	99.43 (9)	C24—C23—H23	120.1
C5—C9—C8	101.24 (9)	C22—C23—H23	120.1
C5—C9—C10	102.12 (10)	C23—C24—C25	120.16 (12)
C8—C9—C10	115.33 (10)	C23—C24—H24	119.9
C5—C9—H9	112.4	C25—C24—H24	119.9
C8—C9—H9	112.4	C24—C25—C20	120.88 (12)
C10—C9—H9	112.4	C24—C25—H25	119.6
C11—C10—C3	100.19 (10)	C20—C25—H25	119.6
C11—C10—C9	114.16 (10)	C11—O1—C12	106.04 (9)
C3—C10—C9	102.28 (10)	C13—O2—C11	109.14 (9)
C11—C10—H10	113.0	C8—O3—H3H	106.7 (12)
C3—C10—H10	113.0
C11—C1—C2—C3	12.21 (12)	C8—C9—C10—C3	−108.23 (11)
C7—C1—C2—C3	−103.71 (10)	C3—C10—C11—O1	−63.21 (12)
C11—C1—C2—C6	115.67 (10)	C9—C10—C11—O1	−171.72 (10)
C7—C1—C2—C6	−0.25 (9)	C3—C10—C11—O2	179.88 (10)
C1—C2—C3—C4	127.66 (11)	C9—C10—C11—O2	71.37 (14)
C6—C2—C3—C4	33.44 (12)	C3—C10—C11—C1	53.55 (11)
C1—C2—C3—C10	19.42 (12)	C9—C10—C11—C1	−54.96 (13)
C6—C2—C3—C10	−74.81 (11)	C2—C1—C11—O1	74.93 (12)
C10—C3—C4—C5	51.75 (12)	C7—C1—C11—O1	170.52 (10)
C2—C3—C4—C5	−53.26 (12)	C2—C1—C11—O2	−166.82 (10)
C3—C4—C5—C6	53.65 (12)	C7—C1—C11—O2	−71.23 (13)
C3—C4—C5—C9	−51.53 (13)	C2—C1—C11—C10	−40.23 (11)
C4—C5—C6—C7	−128.13 (11)	C7—C1—C11—C10	55.37 (12)
C9—C5—C6—C7	−19.40 (12)	O1—C12—C13—O2	−23.62 (14)
C4—C5—C6—C2	−33.99 (12)	O3—C8—C14—C15	123.86 (12)
C9—C5—C6—C2	74.74 (11)	C7—C8—C14—C15	−1.91 (16)
C3—C2—C6—C5	0.29 (12)	C9—C8—C14—C15	−111.07 (13)
C1—C2—C6—C5	−107.56 (10)	O3—C8—C14—C19	−53.41 (13)
C3—C2—C6—C7	108.11 (10)	C7—C8—C14—C19	−179.18 (10)
C1—C2—C6—C7	0.25 (9)	C9—C8—C14—C19	71.66 (13)
C5—C6—C7—C8	−12.78 (12)	C19—C14—C15—C16	0.82 (19)
C2—C6—C7—C8	−116.01 (9)	C8—C14—C15—C16	−176.51 (12)
C5—C6—C7—C1	102.98 (10)	C14—C15—C16—C17	0.4 (2)
C2—C6—C7—C1	−0.25 (9)	C15—C16—C17—C18	−1.12 (19)
C11—C1—C7—C8	1.95 (15)	C15—C16—C17—C20	174.66 (12)
C2—C1—C7—C8	105.05 (11)	C16—C17—C18—C19	0.68 (18)
C11—C1—C7—C6	−102.85 (11)	C20—C17—C18—C19	−174.86 (11)
C2—C1—C7—C6	0.25 (9)	C17—C18—C19—C14	0.51 (19)
C6—C7—C8—O3	165.61 (9)	C15—C14—C19—C18	−1.25 (18)
C1—C7—C8—O3	69.38 (13)	C8—C14—C19—C18	176.16 (11)
C6—C7—C8—C14	−75.83 (11)	C16—C17—C20—C25	−139.90 (13)
C1—C7—C8—C14	−172.06 (9)	C18—C17—C20—C25	35.57 (18)
C6—C7—C8—C9	39.61 (11)	C16—C17—C20—C21	34.67 (17)
C1—C7—C8—C9	−56.62 (12)	C18—C17—C20—C21	−149.86 (12)
C4—C5—C9—C8	151.54 (10)	C25—C20—C21—C22	3.91 (18)
C6—C5—C9—C8	44.25 (11)	C17—C20—C21—C22	−170.85 (11)
C4—C5—C9—C10	32.28 (12)	C20—C21—C22—C23	−1.9 (2)
C6—C5—C9—C10	−75.02 (11)	C21—C22—C23—C24	−1.5 (2)
O3—C8—C9—C5	−178.53 (10)	C22—C23—C24—C25	2.8 (2)
C14—C8—C9—C5	64.36 (11)	C23—C24—C25—C20	−0.7 (2)
C7—C8—C9—C5	−52.91 (11)	C21—C20—C25—C24	−2.62 (18)
O3—C8—C9—C10	−69.21 (14)	C17—C20—C25—C24	172.06 (12)
C14—C8—C9—C10	173.68 (10)	O2—C11—O1—C12	−34.19 (13)
C7—C8—C9—C10	56.41 (12)	C10—C11—O1—C12	−158.35 (11)
C4—C3—C10—C11	−150.89 (10)	C1—C11—O1—C12	90.71 (12)
C2—C3—C10—C11	−43.93 (11)	C13—C12—O1—C11	35.81 (14)
C4—C3—C10—C9	−33.20 (12)	C12—C13—O2—C11	3.28 (14)
C2—C3—C10—C9	73.76 (11)	O1—C11—O2—C13	18.51 (13)
C5—C9—C10—C11	107.79 (12)	C10—C11—O2—C13	137.71 (11)
C8—C9—C10—C11	−1.01 (15)	C1—C11—O2—C13	−103.21 (12)
C5—C9—C10—C3	0.57 (11)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3H···O2	0.877 (18)	1.769 (19)	2.6153 (12)	161.6 (18)
C12—H12B···O1i	0.99	2.54	3.2455 (18)	128
C24—H24···O3ii	0.95	2.60	3.4955 (16)	158

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3H⋯O2	0.877 (18)	1.769 (19)	2.6153 (12)	161.6 (18)
C12—H12B⋯O1i	0.99	2.54	3.2455 (18)	128
C24—H24⋯O3ii	0.95	2.60	3.4955 (16)	158

Symmetry codes: (i) ; (ii) .