Crystallography Open Database

Information card for entry 7239313

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Coordinates	7239313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H24 Cl N O S
Calculated formula	C30.5 H24 Cl N O S
Title of publication	Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides
Authors of publication	Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	47
Pages of publication	25103
a	39.108 ± 0.004 Å
b	8.1605 ± 0.0008 Å
c	16.4308 ± 0.0015 Å
α	90°
β	111.789 ± 0.008°
γ	90°
Cell volume	4869.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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