Crystallography Open Database

Information card for entry 1519555

1519554 << 1519555 >> 1519556

Preview

Coordinates	1519555.cif

Structure parameters

Formula	C25 H43 F6 N2 P
Calculated formula	C25 H43 F6 N2 P
SMILES	[P](F)(F)(F)(F)(F)[F-].n1(CCCCCCCCC)c[n+](c2c1cccc2)CCCCCCCCC
Title of publication	C25H43F6N2P
Authors of publication	Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2003
Pages of publication	962
a	8.2038 ± 0.0002 Å
b	9.2704 ± 0.0002 Å
c	35.2128 ± 0.0008 Å
α	90°
β	91.468 ± 0.001°
γ	90°
Cell volume	2677.14 ± 0.11 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	0.1336
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2789
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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.	1519555.cif
136156	2015-05-13	cif/ Adding structures of 1519555 via cif-deposit CGI script.	1519555.cif