Crystallography Open Database

Information card for entry 4115381

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Structure parameters

Formula	C45 H69 As
Calculated formula	C45 H69 As
SMILES	[As](c1c(cc(cc1C(C)C)C(C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Synthesis, Structure, and Redox Properties of the Extremely Crowded Triarylpnictogens: Tris(2,4,6-triisopropylphenyl)phosphine, Arsine, Stibine, and Bismuthine
Authors of publication	Shigeru Sasaki; Katsuhide Sutoh; Fumiki Murakami; Masaaki Yoshifuji
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14830 - 14831
a	17.686 ± 0.002 Å
b	18.44 ± 0.01 Å
c	14.89 ± 0.002 Å
α	99.54 ± 0.01°
β	110.68 ± 0.01°
γ	107.37 ± 0.02°
Cell volume	4131 ± 2 Å³
Cell temperature	123.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.655
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4115381.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115381.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115381.cif
68848	2012-11-21	cif/ Adding structures of 4115381 via cif-deposit CGI script.	4115381.cif