Crystallography Open Database

Information card for entry 4078597

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Structure parameters

Formula	C21 H37 N3 Si
Calculated formula	C21 H37 N3 Si
SMILES	[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N(C(C)C)C(C)C
Title of publication	Facile Access to the Functionalized N-Donor Stabilized Silylenes PhC(NtBu)2SiX (X = PPh2, NPh2, NCy2, NiPr2, NMe2, N(SiMe3)2, OtBu)
Authors of publication	Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4588
a	27.82 ± 0.002 Å
b	8.447 ± 0.003 Å
c	19.099 ± 0.002 Å
α	90°
β	99.35 ± 0.02°
γ	90°
Cell volume	4428.6 ± 1.7 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4078597.cif
178674	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/85.	4078597.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078597.cif
62432	2012-07-07	cif/ Adding structures of 4078597 via cif-deposit CGI script.	4078597.cif