Crystallography Open Database

Information card for entry 2204318

2204317 << 2204318 >> 2204319

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Structure parameters

Formula	C30 H24 O2
Calculated formula	C30 H24 O2
SMILES	O[C@H]1[C@@H]([C@@H](c2c1cccc2)c1ccccc1)[C@@H]1C(=O)c2c([C@H]1c1ccccc1)cccc2.O[C@@H]1[C@H]([C@H](c2c1cccc2)c1ccccc1)[C@H]1C(=O)c2c([C@@H]1c1ccccc1)cccc2
Title of publication	(2<i>RS</i>,3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,3'<i>RS</i>)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1<i>H</i>-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one: isomer (I)
Authors of publication	Ohba, Shigeru; Yohei, Yamamoto; Tanaka, Koichi
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1793 - o1794
a	17.985 ± 0.003 Å
b	9.529 ± 0.003 Å
c	13.154 ± 0.004 Å
α	90°
β	99.63 ± 0.02°
γ	90°
Cell volume	2222.6 ± 1 Å³
Cell temperature	297 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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