Crystallography Open Database

Information card for entry 4134713

Preview

Coordinates	4134713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H106 Cl O14 P2 Pd2
Calculated formula	C82 H106 Cl O14 P2 Pd2
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	29.794 ± 0.002 Å
b	19.1363 ± 0.0013 Å
c	16.7518 ± 0.0011 Å
α	90°
β	113.055 ± 0.002°
γ	90°
Cell volume	8788.1 ± 1 Å³
Cell temperature	288 ± 2 K
Ambient diffraction temperature	288 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4134713.cif
250787	2020-04-16	cif/ Adding structures of 4134713 via cif-deposit CGI script.	4134713.cif