Crystallography Open Database

Information card for entry 1540434

Preview

Coordinates	1540434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.25 H71.25 As N3 P2
Calculated formula	C65.252 H71.252 As N3 P2
Title of publication	Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	745
a	24.123 ± 0.002 Å
b	12.4043 ± 0.0009 Å
c	39.14 ± 0.003 Å
α	90°
β	106.871 ± 0.003°
γ	90°
Cell volume	11207.8 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0897
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
175929 (current)	2016-02-05	cif/ Updating files of 1540431, 1540432, 1540433, 1540434 Original log message: Adding full bibliography for 1540431--1540434.cif.	1540434.cif
169776	2015-10-28	cif/ Adding structures of 1540431, 1540432, 1540433, 1540434 via cif-deposit CGI script.	1540434.cif