Crystallography Open Database

Information card for entry 7158165

Preview

Coordinates	7158165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 Br F12 N2 O2 P
Calculated formula	C39 H32 Br F12 N2 O2 P
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	8.7747 ± 0.0004 Å
b	15.1721 ± 0.0009 Å
c	16.458 ± 0.0009 Å
α	72.036 ± 0.002°
β	88.944 ± 0.002°
γ	84.345 ± 0.002°
Cell volume	2073.94 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1529
Residual factor for significantly intense reflections	0.1053
Weighted residual factors for significantly intense reflections	0.2673
Weighted residual factors for all reflections included in the refinement	0.3269
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7158165.cif
267319	2021-07-07	cif/ Adding structures of 7158165 via cif-deposit CGI script.	7158165.cif