Crystallography Open Database

Information card for entry 4070833

Preview

Coordinates	4070833.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 7
Formula	C39 H72 O Si7
Calculated formula	C39 H72 O Si7
SMILES	[Si]1(O)(C=CC(C=C1)Cc1ccccc1)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
Title of publication	Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species†
Authors of publication	Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	305
a	12.9509 ± 0.0006 Å
b	23.3149 ± 0.0005 Å
c	15.8222 ± 0.0004 Å
α	90°
β	103.269 ± 0.0014°
γ	90°
Cell volume	4650 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070833.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070833.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070833.cif
42734	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070833 via cif-deposit CGI script.	4070833.cif