Crystallography Open Database

Information card for entry 1519274

1519273 << 1519274 >> 1519275

Preview

Coordinates	1519274.cif

Structure parameters

Formula	C44 H45 O4 Sb
Calculated formula	C44 H45 O4 Sb
SMILES	[Sb](OC(=O)[C@@H](c1ccccc1)C1CCCC1)(OC(=O)[C@H](c1ccccc1)C1CCCC1)([c]1ccccc1)([c]1ccccc1)c1ccccc1
Title of publication	(RR,SS,RS)-Triphenyl-bis(2-cyclopentyl-2-phenylacetato-O)-antimony(v)
Authors of publication	Hursthouse, Michael B.; Costello, J. F.; Coles, Simon J.; Barucki, H.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	93
a	9.54 ± 0.0019 Å
b	13.248 ± 0.003 Å
c	28.592 ± 0.006 Å
α	90°
β	98.73 ± 0.03°
γ	90°
Cell volume	3571.8 ± 1.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.43
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.	1519274.cif
135616	2015-05-06	cif/ Adding structures of 1519274 via cif-deposit CGI script.	1519274.cif