Crystallography Open Database

Information card for entry 4119551

4119550 << 4119551 >> 4119552

Preview

Coordinates	4119551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89
Calculated formula	C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889
Title of publication	Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones
Authors of publication	Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	4992 - 4995
a	19.636 ± 0.0004 Å
b	12.1674 ± 0.0002 Å
c	11.4299 ± 0.0002 Å
α	90°
β	119.202 ± 0.003°
γ	90°
Cell volume	2383.75 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for all reflections	0.0503
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	0.9942
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
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119551.cif
103710	2014-03-06	cif/ Adding structures of 4119551 via cif-deposit CGI script.	4119551.cif