Crystallography Open Database

Information card for entry 1514732

Preview

Coordinates	1514732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 N2 Si
Calculated formula	C30 H42 N2 Si
SMILES	[SiH](Nc1c(C(C)C)cccc1C(C)C)(Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
Title of publication	Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Authors of publication	Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	11
Pages of publication	4212
a	15.1354 ± 0.0004 Å
b	9.24 ± 0.0003 Å
c	20.128 ± 0.0006 Å
α	90°
β	101.781 ± 0.002°
γ	90°
Cell volume	2755.63 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514732.cif
110238	2014-04-18	cif/ Adding structures of 1514732, 1514733, 1514734, 1514735, 1514736 via cif-deposit CGI script.	1514732.cif