Crystallography Open Database

Information card for entry 8102258

Preview

Coordinates	8102258.cif

Structure parameters

Chemical name	1,2-Bis[2-methoxylphenyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene
Formula	C19 H14 F6 O2
Calculated formula	C19 H14 F6 O2
Title of publication	Crystal structure of 1,2-bis(2-methoxylphenyl)perfluorocyclopentene, C19H14F6O2
Authors of publication	Qian-Li Huang; Cong-Bin Fan; Gang Liu; Shou-Zhi Pu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	209
a	18.259 ± 0.003 Å
b	21.261 ± 0.003 Å
c	9.1771 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3562.6 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102258.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102258.cif
12997	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102258 via cif-deposit CGI script.	8102258.cif