Crystallography Open Database

Information card for entry 4134715

Preview

Coordinates	4134715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 O5
Calculated formula	C23 H20 O5
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	8.4534 ± 0.0002 Å
b	8.7745 ± 0.0002 Å
c	26.1457 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1939.34 ± 0.08 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	301.97 K
Number of distinct elements	3
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	0.0472
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	4134715.cif
250789	2020-04-16	cif/ Adding structures of 4134715 via cif-deposit CGI script.	4134715.cif