Crystallography Open Database

Information card for entry 4085711

Preview

Coordinates	4085711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O3
Calculated formula	C25 H25 N O3
Title of publication	[Cp*RhCl2]2-Catalyzed Alkyne Hydroamination to 1,2-Dihydroquinolines
Authors of publication	Kumaran, Elumalai; Leong, Weng Kee
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1779
a	9.927 ± 0.0006 Å
b	12.9188 ± 0.0007 Å
c	16.2923 ± 0.0009 Å
α	98.309 ± 0.003°
β	104.241 ± 0.003°
γ	97.519 ± 0.003°
Cell volume	1973.5 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4085711.cif
140251	2015-07-05	cif/ Updating files of 4085710, 4085711 Original log message: Adding full bibliography for 4085710--4085711.cif.	4085711.cif
136335	2015-05-13	cif/ Adding structures of 4085710, 4085711 via cif-deposit CGI script.	4085711.cif