Crystallography Open Database

Information card for entry 7239312

Preview

Coordinates	7239312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7.94 H6.53 N0.35 O0.18
Calculated formula	C7.94118 H6.52941 N0.352941 O0.176471
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	9.277 ± 0.0003 Å
b	9.277 ± 0.0003 Å
c	34.749 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2589.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.1998
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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