Crystallography Open Database

Information card for entry 7239072

Preview

Coordinates	7239072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Br N3 O
Calculated formula	C11 H10 Br N3 O
Title of publication	Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors
Authors of publication	Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	24
Pages of publication	9154
a	5.6282 ± 0.0009 Å
b	9.0457 ± 0.0014 Å
c	22.768 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1159.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244535 (current)	2019-11-28	cif/ Adding structures of 7239072, 7239073 via cif-deposit CGI script.	7239072.cif