Crystallography Open Database

Information card for entry 4028518

Preview

Coordinates	4028518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 Cl5 N3 O4
Calculated formula	C50 H50 Cl5 N3 O4
Title of publication	Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles
Authors of publication	Jing Sun; Ya-Jing Xie; Chao-Guo Yan
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	8354 - 8365
a	10.326 ± 0.004 Å
b	15.052 ± 0.006 Å
c	16.253 ± 0.007 Å
α	97.534 ± 0.006°
β	99.983 ± 0.005°
γ	94.847 ± 0.006°
Cell volume	2451.5 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2128
Residual factor for significantly intense reflections	0.1389
Weighted residual factors for significantly intense reflections	0.3204
Weighted residual factors for all reflections included in the refinement	0.3482
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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