Crystallography Open Database

Information card for entry 4131781

Preview

Coordinates	4131781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H67 N3 O2 Si5
Calculated formula	C37 H67 N3 O2 Si5
SMILES	[Si](O)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(OC)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Silicon and Oxygen's Bond of Affection: An Acyclic Three-Coordinate Silanone and Its Transformation to an Iminosiloxysilylene.
Authors of publication	Wendel, Daniel; Reiter, Dominik; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi; Rieger, Bernhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	47
Pages of publication	17193 - 17198
a	13.2302 ± 0.0014 Å
b	11.9923 ± 0.0013 Å
c	28.62 ± 0.003 Å
α	90°
β	96.613 ± 0.003°
γ	90°
Cell volume	4510.7 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0832
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
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
241935 (current)	2019-11-25	cif/ Adding structures of 4131779, 4131780, 4131781, 4131782, 4131783 via cif-deposit CGI script.	4131781.cif