Crystallography Open Database

Information card for entry 4131417

Preview

Coordinates	4131417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H63 N3 O3 Si5
Calculated formula	C37 H63 N3 O3 Si5
SMILES	[Si]1([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(OC(=O)O1)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	From Si(II) to Si(IV) and Back: Reversible Intramolecular Carbon-Carbon Bond Activation by an Acyclic Iminosilylene.
Authors of publication	Wendel, Daniel; Porzelt, Amelie; Herz, Fabian A. D.; Sarkar, Debotra; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	24
Pages of publication	8134 - 8137
a	10.2747 ± 0.0004 Å
b	18.4172 ± 0.0008 Å
c	23.9282 ± 0.001 Å
α	90°
β	101.484 ± 0.001°
γ	90°
Cell volume	4437.3 ± 0.3 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	0.0801
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
241623 (current)	2019-11-25	cif/ Adding structures of 4131415, 4131416, 4131417 via cif-deposit CGI script.	4131417.cif