Crystallography Open Database

Information card for entry 1519494

1519493 << 1519494 >> 1519495

Preview

Coordinates	1519494.cif

Structure parameters

Formula	C10 H20 O2 Si
Calculated formula	C10 H20 O2 Si
SMILES	C1(CCCC1)[Si](C1CCCC1)(O)O
Title of publication	C10H20O2Si
Authors of publication	Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	933
a	5.1449 ± 0.0001 Å
b	10.2655 ± 0.0003 Å
c	11.7941 ± 0.0003 Å
α	104.762 ± 0.001°
β	98.952 ± 0.001°
γ	101.329 ± 0.002°
Cell volume	576.55 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	1519494.cif
136057	2015-05-11	cif/ Adding structures of 1519494 via cif-deposit CGI script.	1519494.cif