Crystallography Open Database

Information card for entry 4075834

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Structure parameters

Formula	C64 H90 O Si4
Calculated formula	C64 H90 O Si4
SMILES	[Si]([Si](C)(C)C)([Si](C)(C)C)(C#Cc1c(C)cc(C)cc1C)/C=C(c1c(C)cc(C)cc1C)\CC(/c1c(C)cc(C)cc1C)=C/C(=C(\O[Si](C)(C)C)C12CC3CC(CC(C1)C3)C2)c1c(C)cc(C)cc1C
Title of publication	Silicon−Carbon Unsaturated Compounds. 70. Thermolysis and Photolysis of Acylpolysilanes with Mesitylacetylene
Authors of publication	Naka, Akinobu; Ohnishi, Hidenobu; Ohshita, Joji; Ikadai, Junnai; Kunai, Atsutaka; Ishikawa, Mitsuo
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	22
Pages of publication	5356
a	13.128 ± 0.003 Å
b	46.24 ± 0.01 Å
c	10.72 ± 0.003 Å
α	90°
β	102.89 ± 0.02°
γ	90°
Cell volume	6343 ± 3 Å³
Cell temperature	298.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.342
Diffraction radiation wavelength	0.7107 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.	4075834.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075834.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075834.cif
50694	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075834 via cif-deposit CGI script.	4075834.cif