Crystallography Open Database

Information card for entry 4348845

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Structure parameters

Formula	C31 H51 N3 Si
Calculated formula	C31 H51 N3 Si
SMILES	C1(C(C)(C)CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)=[Si]=C1N(C(C)C)C(C)=C(C)N1C(C)C
Title of publication	Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.
Authors of publication	Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	9091 - 9098
a	9.6322 ± 0.0009 Å
b	15.0447 ± 0.0014 Å
c	21.449 ± 0.002 Å
α	78.976 ± 0.002°
β	88.624 ± 0.003°
γ	87.02 ± 0.002°
Cell volume	3046.5 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1765
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	4348845.cif
233423	2019-11-23	cif/ Adding structures of 4348842, 4348843, 4348844, 4348845, 4348846 via cif-deposit CGI script.	4348845.cif