Crystallography Open Database

Information card for entry 1542665

Preview

Coordinates	1542665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 Cl3 N2 Rh
Calculated formula	C19 H26 Cl3 N2 Rh
SMILES	[Rh]12345(Cl)([NH]=C(Nc6c1cccc6)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl
Title of publication	Rh(III)-Catalyzed Synthesis of N-Unprotected Indoles from Imidamides and Diazo Ketoesters via C-H Activation and C-C/C-N Bond Cleavage.
Authors of publication	Qi, Zisong; Yu, Songjie; Li, Xingwei
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	700 - 703
a	11.0944 ± 0.0019 Å
b	14.838 ± 0.002 Å
c	13.848 ± 0.002 Å
α	90°
β	105.603 ± 0.004°
γ	90°
Cell volume	2195.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177315 (current)	2016-03-04	cif/ Adding structures of 1542665 via cif-deposit CGI script.	1542665.cif