Crystallography Open Database

Information card for entry 4508513

Preview

Coordinates	4508513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 F O3
Calculated formula	C25 H27 F O3
Title of publication	Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols
Authors of publication	Nath, Bhaskar; Baruah, Jubaraj B.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	5146
a	9.0463 ± 0.0005 Å
b	9.5339 ± 0.0006 Å
c	13.1106 ± 0.0008 Å
α	98.763 ± 0.004°
β	103.988 ± 0.004°
γ	96.474 ± 0.004°
Cell volume	1071.13 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.065
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179621 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/85.	4508513.cif
91520	2013-12-13	cif/ Adding structures of 4508513 via cif-deposit CGI script.	4508513.cif