Crystallography Open Database

Information card for entry 4107595

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Structure parameters

Common name	Chlorodiphenylsilyldisilene
Chemical name	1-Chloro(diphenyl)silyl-1,2,2-tris(2',4',6'-triisopropylphenyl)disilene
Formula	C58.25 H82 Cl Si3
Calculated formula	C58.25 H82 Cl Si3
SMILES	[Si](=[Si]([Si](Cl)(c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCC
Title of publication	Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane
Authors of publication	Kai Abersfelder; David Scheschkewitz
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4114 - 4121
a	31.0675 ± 0.0008 Å
b	18.4074 ± 0.0005 Å
c	39.2606 ± 0.0009 Å
α	90°
β	99.287 ± 0.001°
γ	90°
Cell volume	22157.7 ± 1 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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