Crystallography Open Database

Information card for entry 1519523

1519522 << 1519523 >> 1519524

Preview

Coordinates	1519523.cif

Structure parameters

Formula	C24 H30 F6 N3 O7 P3
Calculated formula	C24 H30 F6 N3 O7 P3
SMILES	C(C(F)(F)F)OP12=NP(=NP(c3ccccc3)(c3ccccc3)=N1)(OCC(F)(F)F)OCCOCCOCCOCCO2
Title of publication	2,2-Diphenyl-4,6-cis-oxy(tetraethyleneoxy)-4,6-bis(2,2,2-trifluoroethoxy) cyclotriphosphazatriene
Authors of publication	Shaw, R. A.; Meyer, T. A.; Kilic, A.; Hursthouse, Michael B.; Davies, David B.; Coles, Simon J.; Besli, S.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	62
a	15.3839 ± 0.0004 Å
b	8.0685 ± 0.0002 Å
c	24.1935 ± 0.0009 Å
α	90°
β	105.877 ± 0.001°
γ	90°
Cell volume	2888.46 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1144
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.	1519523.cif
136102	2015-05-12	cif/ Adding structures of 1519523 via cif-deposit CGI script.	1519523.cif