Crystallography Open Database

Information card for entry 7118583

Preview

Coordinates	7118583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 F3 N O2 P0.5
Calculated formula	C9 H10 F3 N O2 P0.5
Title of publication	Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.
Authors of publication	d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	9
Pages of publication	1899 - 1902
a	5.5647 ± 0.0005 Å
b	5.8519 ± 0.0008 Å
c	15.82 ± 0.0015 Å
α	85.376 ± 0.009°
β	86.255 ± 0.007°
γ	72.178 ± 0.01°
Cell volume	488.4 ± 0.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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

Version history

Revision	Date	Message	Files
174802 (current)	2016-01-23	cif/ Adding structures of 7118562, 7118563, 7118564, 7118565, 7118566, 7118567, 7118568, 7118569, 7118570, 7118571, 7118572, 7118573, 7118574, 7118575, 7118576, 7118577, 7118578, 7118579, 7118580, 7118581, 7118582, 7118583 via cif-deposit CGI script.	7118583.cif