Crystallography Open Database

Information card for entry 7111605

Preview

Coordinates	7111605.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2,4,4,5,6,6,8,9,11,11-Undecamethyl-2,8,10-tris(1?,2?,2?,2?- tetramethyl-1?-trimethylsilyl-disilanyl)-3,7,10-trioxa-1,2,4,5,6,8,9,11- octasila-bicyclo(3.3.3)undecane
Chemical name	1,2,4,4,5,6,6,8,9,11,11-Undecamethyl-2,8,10- tris[1?,2?,2?,2?-tetramethyl-1?-trimethylsilyl-disilanyl]- 3,7,10-trioxa-1,2,4,5,6,8,9,11-octasila- bicyclo[3.3.3]undecane
Formula	C32 H96 O3 Si17
Calculated formula	C32 H96 O3 Si17
SMILES	[Si]([Si]([Si@]1([Si]2([Si@]([Si]([Si](C)(C)C)([Si](C)(C)C)C)(O[Si]([Si]([Si](O1)(C)C)([Si](O[Si@]2([Si]([Si](C)(C)C)([Si](C)(C)C)C)C)(C)C)C)(C)C)C)C)C)([Si](C)(C)C)C)(C)(C)C.[Si]([Si]([Si@@]1([Si]2([Si@@]([Si]([Si](C)(C)C)([Si](C)(C)C)C)(O[Si]([Si]([Si](O1)(C)C)([Si](O[Si@@]2([Si]([Si](C)(C)C)([Si](C)(C)C)C)C)(C)C)C)(C)C)C)C)C)([Si](C)(C)C)C)(C)(C)C
Title of publication	Discrete oxygen containing oligosilane dendrimers—modelling oxygen defects in silicon nanomaterials
Authors of publication	Jäger-Fiedler, U.; Köckerling, M.; Reinke, H.; Krempner, C.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4535 - 4537
a	14.71 ± 0.001 Å
b	22.175 ± 0.001 Å
c	20.42 ± 0.001 Å
α	90°
β	91.4 ± 0.001°
γ	90°
Cell volume	6658.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0992
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111605.cif
96697	2014-01-29	cif/ Adding structures of 7111605, 7111606 via cif-deposit CGI script.	7111605.cif