Crystallography Open Database

Information card for entry 4036997

Preview

Coordinates	4036997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 N Rh
Calculated formula	C24 H26 Cl2 N Rh
Title of publication	Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.
Authors of publication	Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	24
Pages of publication	12135 - 12142
a	8.7872 ± 0.0005 Å
b	18.8893 ± 0.0011 Å
c	26.3974 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4381.5 ± 0.4 Å³
Cell temperature	291.98 ± 0.1 K
Ambient diffraction temperature	291.98 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.15
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235537 (current)	2019-11-23	cif/ Adding structures of 4036997 via cif-deposit CGI script.	4036997.cif