Crystallography Open Database

Information card for entry 4082387

Preview

Coordinates	4082387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O5 Si
Calculated formula	C17 H22 O5 Si
SMILES	c1(ccccc1)[Si](c1c(cc(cc1OC)OC)OC)(OC)OC
Title of publication	Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis
Authors of publication	Fischer, Markus; Burschka, Christian; Tacke, Reinhold
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	1020
a	7.8334 ± 0.0015 Å
b	9.767 ± 0.0018 Å
c	12.822 ± 0.003 Å
α	101.08 ± 0.02°
β	105.59 ± 0.02°
γ	102.96 ± 0.02°
Cell volume	886.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0592
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178712 (current)	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 4/08/23.	4082387.cif
104392	2014-03-11	cif/ Adding structures of 4082383, 4082384, 4082385, 4082386, 4082387, 4082388 via cif-deposit CGI script.	4082387.cif