Crystallography Open Database

Information card for entry 7112098

7112097 << 7112098 >> 7112099

Preview

Coordinates	7112098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N5 O5
Calculated formula	C23 H19 N5 O5
Title of publication	Ruthenium porphyrin catalyzed diimination of indoles with aryl azides as the nitrene source
Authors of publication	Jinhu Wei; Wenbo Xiao; Cong-Ying Zhou; Chi-Ming Che
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3373
a	8.0842 ± 0.0009 Å
b	12.2092 ± 0.0013 Å
c	12.7761 ± 0.0014 Å
α	73.117 ± 0.001°
β	73.449 ± 0.002°
γ	79.959 ± 0.002°
Cell volume	1150.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0767
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112098.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112098.cif
105507	2014-03-12	cif/ Adding structures of 7112098 via cif-deposit CGI script.	7112098.cif