Crystallography Open Database

Information card for entry 4109964

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Structure parameters

Formula	C21 H37 N2 P Si
Calculated formula	C21 H37 N2 P Si
SMILES	P([Si]1[N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1)(C(C)C)C(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	9.0623 ± 0.0018 Å
b	10.209 ± 0.002 Å
c	12.72 ± 0.003 Å
α	90°
β	94.17 ± 0.03°
γ	90°
Cell volume	1173.7 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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.	4109964.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.	4109964.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109964.cif
58743	2012-05-30	cif/ Adding structures of 4109964 via cif-deposit CGI script.	4109964.cif