Crystallography Open Database

Information card for entry 4123545

Preview

Coordinates	4123545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 Cl2 N P Si
Calculated formula	C32 H41 Cl2 N P Si
SMILES	Cl[Si](P(c1ccccc1)c1ccccc1)([C]1C(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)Cl
Title of publication	Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.
Authors of publication	Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Pages of publication	150403102455008
a	16.3343 ± 0.001 Å
b	11.2426 ± 0.0007 Å
c	16.7723 ± 0.0011 Å
α	90°
β	101.258 ± 0.003°
γ	90°
Cell volume	3020.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179037 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35.	4123545.cif
134679	2015-04-04	cif/ Adding structures of 4123545 via cif-deposit CGI script.	4123545.cif