Crystallography Open Database

Information card for entry 1519808

1519807 << 1519808 >> 1519809

Preview

Coordinates	1519808.cif

Structure parameters

Formula	C21 H28 N2 O2 Si2
Calculated formula	C21 H28 N2 O2 Si2
SMILES	C1(=O)N(C(=O)C(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)[Si](C)(C)C
Title of publication	C21H28N2O2Si2
Authors of publication	Taylor, P. G.; Male, Louise; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2007
Pages of publication	333
a	10.7229 ± 0.0001 Å
b	10.2395 ± 0.0001 Å
c	20.153 ± 0.0002 Å
α	90°
β	92.7121 ± 0.0007°
γ	90°
Cell volume	2210.26 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.038
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519808.cif
137110	2015-05-21	cif/ Adding structures of 1519808 via cif-deposit CGI script.	1519808.cif