Crystallography Open Database

Information card for entry 4082635

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Structure parameters

Formula	C23 H64 O2 Si9
Calculated formula	C23 H64 O2 Si9
SMILES	[Si]1([Si](C)(C)[Si](C)(C)[Si@](OC)([C@@H](C(C)(C)C)O[Si](C)(C)[Si]1(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Si]1([Si](C)(C)[Si](C)(C)[Si@@](OC)([C@H](C(C)(C)C)O[Si](C)(C)[Si]1(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.
Authors of publication	Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	231 - 239
a	9.5421 ± 0.0006 Å
b	12.289 ± 0.0008 Å
c	17.355 ± 0.0011 Å
α	97.377 ± 0.003°
β	99.925 ± 0.003°
γ	99.497 ± 0.003°
Cell volume	1951.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0496
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4082635.cif
178715	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082635.cif
104467	2014-03-11	cif/ Adding structures of 4082632, 4082633, 4082634, 4082635, 4082636 via cif-deposit CGI script.	4082635.cif