Crystallography Open Database

Information card for entry 2201451

2201450 << 2201451 >> 2201452

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Structure parameters

Chemical name	2-Benzoyl-3-(1,2-dioxo-2-phenylethyl)-3-phenyl-2-(pyridin-2-yl)oxirane
Formula	C28 H19 N O4
Calculated formula	C28 H19 N O4
SMILES	O=C(c1ccccc1)C(=O)[C@]1(O[C@]1(c1ncccc1)C(=O)c1ccccc1)c1ccccc1.O=C(c1ccccc1)C(=O)[C@@]1(O[C@@]1(c1ncccc1)C(=O)c1ccccc1)c1ccccc1
Title of publication	2-Benzoyl-3-(1,2-dioxo-2-phenylethyl)-3-phenyl-2-(pyridin-2-yl)oxirane
Authors of publication	Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yun Li; Yan Zhang; Jian-Hua Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	10
Pages of publication	o1060 - o1061
a	13.1513 ± 0.0004 Å
b	9.7358 ± 0.0003 Å
c	16.996 ± 0.0005 Å
α	90°
β	95.859 ± 0.001°
γ	90°
Cell volume	2164.77 ± 0.11 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	0.794
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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