Crystallography Open Database

Information card for entry 4069577

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Structure parameters

Formula	C16 H48 Si9
Calculated formula	C16 H48 Si9
SMILES	[Si]12([Si]([Si]([Si]([Si]1(C)C)(C)C)(C)C)(C)C)[Si]([Si]([Si]([Si]2(C)C)(C)C)(C)C)(C)C
Title of publication	Multiple Silyl Exchange Reactions: A Way to Spirooligosilanes
Authors of publication	Hlina, Johann; Mechtler, Christian; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	4065
a	10.447 ± 0.002 Å
b	18.58 ± 0.004 Å
c	16.57 ± 0.003 Å
α	90°
β	101.64 ± 0.03°
γ	90°
Cell volume	3150.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0983
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4069577.cif
178584	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069577.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069577.cif
40346	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069574, 4069575, 4069576, 4069577 via cif-deposit CGI script.	4069577.cif