Crystallography Open Database

Information card for entry 7127597

Preview

Coordinates	7127597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H35 As N2
Calculated formula	C22 H35 As N2
SMILES	[As](c1c(cc(cc1C(C)C)C(C)C)C(C)C)=C1N(C(=C(N1C)C)C)C
Title of publication	Aryl-substituted triarsiranes: synthesis and reactivity.
Authors of publication	Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	8
Pages of publication	1014 - 1017
a	9.2425 ± 0.0013 Å
b	9.2425 ± 0.0013 Å
c	22.02 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1629 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	0.837
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
261529 (current)	2021-02-05	cif/ Updating files of 7127592, 7127593, 7127594, 7127595, 7127596, 7127597, 7127598 Original log message: Adding full bibliography for 7127592--7127598.cif.	7127597.cif
259907	2020-12-16	cif/ Adding structures of 7127592, 7127593, 7127594, 7127595, 7127596, 7127597, 7127598 via cif-deposit CGI script.	7127597.cif