Crystallography Open Database

Information card for entry 4134714

Preview

Coordinates	4134714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 O4
Calculated formula	C24 H22 O4
Title of publication	Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.
Authors of publication	Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	17
Pages of publication	8036 - 8043
a	11.6485 ± 0.0003 Å
b	7.7932 ± 0.0002 Å
c	11.8264 ± 0.0003 Å
α	90°
β	115.44 ± 0.001°
γ	90°
Cell volume	969.49 ± 0.04 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251442 (current)	2020-05-04	cif/ Updating files of 4134712, 4134713, 4134714, 4134715 Original log message: Adding full bibliography for 4134712--4134715.cif.	4134714.cif
250788	2020-04-16	cif/ Adding structures of 4134714 via cif-deposit CGI script.	4134714.cif