Crystallography Open Database

Information card for entry 4107597

Preview

Coordinates	4107597.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tip3Ph2-Chlorocyclotrisilan
Chemical name	[S]-1-Chlor-1,2,2-tris(2',4',6'-triisopropylphenyl)-3,3-diphenylcyclotrisilan
Formula	C61 H87 Cl O Si3
Calculated formula	C61 H87 Cl O Si3
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	10.874 ± 0.0005 Å
b	15.4908 ± 0.0008 Å
c	34.2768 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5773.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.307
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107597.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107597.cif
55283	2012-05-04	cif/ Adding structures of 4107597 via cif-deposit CGI script.	4107597.cif