Crystallography Open Database

Information card for entry 4347331

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Structure parameters

Formula	C35 H55 Cl2 N3 Si
Calculated formula	C35 H55 Cl2 N3 Si
SMILES	[Si](Cl)(Cl)(C1C(C)(C)CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)N(C(C)(C)C)/C(=N/C(C)(C)C)c1ccccc1
Title of publication	Insertion of Cyclic Alkyl(amino) Carbene into the Si-H Bonds of Hydrochlorosilanes.
Authors of publication	Mohapatra, Chandrajeet; Samuel, Prinson P.; Li, Bin; Niepötter, Benedikt; Schürmann, Christian J; Herbst-Irmer, Regine; Stalke, Dietmar; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	1953 - 1955
a	13.314 ± 0.002 Å
b	16.57 ± 0.002 Å
c	17.34 ± 0.003 Å
α	90°
β	112.38 ± 0.02°
γ	90°
Cell volume	3537.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0504
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4347331.cif
232270	2019-11-23	cif/ Adding structures of 4347331 via cif-deposit CGI script.	4347331.cif