Crystallography Open Database

Information card for entry 4124931

Preview

Coordinates	4124931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H78 N3 O P Si2
Calculated formula	C60.5 H78 N3 O P Si2
Title of publication	Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.
Authors of publication	Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	9
Pages of publication	2965 - 2968
a	12.4232 ± 0.0006 Å
b	26.8031 ± 0.0013 Å
c	18.2009 ± 0.0008 Å
α	90°
β	102.66 ± 0.002°
γ	90°
Cell volume	5913.2 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0858
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2065
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181436 (current)	2016-04-04	cif/ Updating files of 4124930, 4124931, 4124932, 4124933 Original log message: Adding full bibliography for 4124930--4124933.cif.	4124931.cif
177057	2016-03-01	cif/ Adding structures of 4124931 via cif-deposit CGI script.	4124931.cif