Crystallography Open Database

Information card for entry 2202592

2202591 << 2202592 >> 2202593

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Structure parameters

Chemical name	1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine
Formula	C30 H25 N O4
Calculated formula	C30 H25 N O4
SMILES	O([C@@H]1C=C[C@@H](OC)n2c(c(c(c12)C(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1)C.O([C@H]1C=C[C@H](OC)n2c(c(c(c12)C(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1)C
Title of publication	1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine
Authors of publication	Hoong-Kun Fun; Yun Li; Jian-Hua Xu; Xue-Mei Li; Shu-Sheng Zhang
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1901 - o1902
a	12.882 ± 0.0006 Å
b	12.116 ± 0.0005 Å
c	30.7987 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4807 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	0.789
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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