Crystallography Open Database

Information card for entry 4115949

Preview

Coordinates	4115949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H70 Ga Li O10
Calculated formula	C65 H68 Ga Li O10
Title of publication	Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes
Authors of publication	Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	2252 - 2260
a	10.013 ± 0.005 Å
b	19.02 ± 0.01 Å
c	15.34 ± 0.01 Å
α	90°
β	106.32 ± 0.03°
γ	90°
Cell volume	2804 ± 3 Å³
Cell temperature	135.2 K
Ambient diffraction temperature	135.2 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	0.0665
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	2.842
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115949.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115949.cif
70513	2012-12-26	cif/ Adding structures of 4115949 via cif-deposit CGI script.	4115949.cif