Crystallography Open Database

Information card for entry 4031004

Preview

Coordinates	4031004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N O2 Si
Calculated formula	C15 H23 N O2 Si
SMILES	[Si]1(CCC)(CCNC(=O)CC1)c1ccc(OC)cc1
Title of publication	Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).
Authors of publication	Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	11
Pages of publication	5804 - 5811
a	18.44 ± 0.007 Å
b	9.281 ± 0.003 Å
c	18.624 ± 0.008 Å
α	90°
β	108.026 ± 0.018°
γ	90°
Cell volume	3031 ± 2 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
140168 (current)	2015-07-05	cif/ Updating files of 4031004, 4031005 Original log message: Adding full bibliography for 4031004--4031005.cif.	4031004.cif
136924	2015-05-19	cif/ Adding structures of 4031004, 4031005 via cif-deposit CGI script.	4031004.cif