Crystallography Open Database

Information card for entry 1540431

Preview

Coordinates	1540431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H74 As N4
Calculated formula	C72 H74 As N4
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	10.8398 ± 0.0018 Å
b	16.34 ± 0.003 Å
c	17.69 ± 0.003 Å
α	85.439 ± 0.006°
β	75.15 ± 0.005°
γ	82.111 ± 0.006°
Cell volume	2996.8 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1623
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	1540431.cif
169776	2015-10-28	cif/ Adding structures of 1540431, 1540432, 1540433, 1540434 via cif-deposit CGI script.	1540431.cif