Crystallography Open Database

Information card for entry 4086508

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Structure parameters

Formula	C45 H70 N4 O Si2
Calculated formula	C45 H70 N4 O Si2
SMILES	N(=[Si]1(N([Si](C)(C)C)C1(c1ccc(cc1)C)c1ccc(cc1)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
Title of publication	Selective Silylation of Nitriles with an NHC-Stabilized Silylene to 1,2-Disilylimines and Subsequent Synthesis of Silaaziridines
Authors of publication	Li, Jianfeng; Ma, Bing; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1358
a	14.804 ± 0.003 Å
b	20.954 ± 0.004 Å
c	15.085 ± 0.003 Å
α	90°
β	98.77 ± 0.03°
γ	90°
Cell volume	4624.7 ± 1.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4086508.cif
183285	2016-06-07	cif/ Adding structures of 4086507, 4086508 via cif-deposit CGI script.	4086508.cif