Crystallography Open Database

Information card for entry 4066929

Preview

Coordinates	4066929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 O Si3
Calculated formula	C16 H28 O Si3
SMILES	[Si]1([Si]([Si](C)(C)c2c1cc(c(c2)CC)C(=O)C)(C)C)(C)C
Title of publication	5,6-Disubstituted 1,2,3-Trisilaindanes as Silicon Analogues of Phantolide-Type Musk Odorants: Synthesis, Structure, Reactivity, and Olfactory Properties§
Authors of publication	Gluyas, Josef B. G.; Burschka, Christian; Kraft, Philip; Tacke, Reinhold
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	5897
a	10.8718 ± 0.0013 Å
b	35.093 ± 0.004 Å
c	10.3208 ± 0.0012 Å
α	90°
β	89.999 ± 0.014°
γ	90°
Cell volume	3937.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0504
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178561 (current)	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 4/06/69.	4066929.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066929.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066929.cif
34026	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066928, 4066929, 4066930 via cif-deposit CGI script.	4066929.cif