Crystallography Open Database

Information card for entry 7158164

Preview

Coordinates	7158164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Br N O5
Calculated formula	C20 H22 Br N O5
Title of publication	Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.
Authors of publication	Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	28
Pages of publication	6334 - 6340
a	12.3447 ± 0.001 Å
b	5.563 ± 0.0005 Å
c	17.4342 ± 0.0015 Å
α	90°
β	104.256 ± 0.002°
γ	90°
Cell volume	1160.4 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
268908 (current)	2021-09-06	cif/ Updating files of 7158164, 7158165 Original log message: Adding full bibliography for 7158164--7158165.cif.	7158164.cif
267318	2021-07-07	cif/ Adding structures of 7158164 via cif-deposit CGI script.	7158164.cif