Crystallography Open Database

Information card for entry 4107678

Preview

Coordinates	4107678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 Br F5 O P
Calculated formula	C25 H19 Br F5 O P
Title of publication	Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations
Authors of publication	Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4600 - 4601
a	8.2351 ± 0.0002 Å
b	13.4969 ± 0.0004 Å
c	20.5816 ± 0.0006 Å
α	90°
β	91.395 ± 0.002°
γ	90°
Cell volume	2286.93 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.044
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107678.html