Crystallography Open Database

Information card for entry 7156951

Preview

Coordinates	7156951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.17 H3.83 N0.17 O0.83 S0.17
Calculated formula	C3.16667 H3.83333 N0.166667 O0.833333 S0.166667
Title of publication	Rhodium(i)-catalyzed vinylation/[2 + 1] carbocyclization of 1,6-enynes with α-diazocarbonyl compounds.
Authors of publication	Huang, Junmin; Hu, Xinwei; Chen, Fengjuan; Gui, Jiao; Zeng, Wei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	29
Pages of publication	7042 - 7054
a	12.417 ± 0.003 Å
b	6.0979 ± 0.0012 Å
c	25.184 ± 0.005 Å
α	90°
β	101.93 ± 0.03°
γ	90°
Cell volume	1865.7 ± 0.7 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	0.035
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
225017 (current)	2019-11-08	cif/ Updating files of 7156951 Original log message: Adding full bibliography for 7156951.cif.	7156951.cif
216697	2019-07-03	cif/ Adding structures of 7156951 via cif-deposit CGI script.	7156951.cif