Crystallography Open Database

Information card for entry 4508515

Preview

Coordinates	4508515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 Cs F2 O4
Calculated formula	C46 H45 Cs F2 O4
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	10.3787 ± 0.0009 Å
b	13.598 ± 0.0009 Å
c	15.7691 ± 0.0008 Å
α	102.404 ± 0.005°
β	102.068 ± 0.006°
γ	106.19 ± 0.007°
Cell volume	1999.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4508515.cif
91524	2013-12-13	cif/ Adding structures of 4508515 via cif-deposit CGI script.	4508515.cif