Crystallography Open Database

Information card for entry 4109963

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Structure parameters

Formula	C17 H29 N3 Si
Calculated formula	C17 H29 N3 Si
SMILES	[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N(C)C
Title of publication	Synthesis and Structures of Heteroleptic Silylenes
Authors of publication	Cheuk-Wai So; Herbert W. Roesky; Prabhuodeyara M. Gurubasavaraj; Rainer B. Oswald; Michael T. Gamer; Peter G. Jones; Steffen Blaurock
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12049 - 12054
a	9.1474 ± 0.0008 Å
b	18.2345 ± 0.0016 Å
c	12.1173 ± 0.001 Å
α	90°
β	111.935 ± 0.004°
γ	90°
Cell volume	1874.8 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109963.cif
178845	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109963.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109963.cif
58742	2012-05-30	cif/ Adding structures of 4109963 via cif-deposit CGI script.	4109963.cif