Crystallography Open Database

Information card for entry 1531041

Preview

Coordinates	1531041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 N2 O8 V2
Calculated formula	C30 H44 N2 O8 V2
Title of publication	Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes
Authors of publication	Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	7130
a	12.1706 ± 0.0006 Å
b	11.0345 ± 0.0005 Å
c	23.8844 ± 0.0012 Å
α	90°
β	100.883 ± 0.0017°
γ	90°
Cell volume	3149.9 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0602
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
170976 (current)	2015-12-09	cif/ Updating files of 1531040, 1531041, 1531042 Original log message: Adding full bibliography for 1531040--1531042.cif.	1531041.cif
156309	2015-09-15	cif/ Adding structures of 1531040, 1531041, 1531042 via cif-deposit CGI script.	1531041.cif