Crystallography Open Database

Information card for entry 4505186

Preview

Coordinates	4505186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 O2
Calculated formula	C9 H7 O2
Title of publication	Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†
Authors of publication	Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	6
Pages of publication	2210
a	7.6462 ± 0.0011 Å
b	18.2905 ± 0.0014 Å
c	5.6092 ± 0.0012 Å
α	90°
β	106.057 ± 0.016°
γ	90°
Cell volume	753.9 ± 0.2 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for all reflections	0.0852
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	0.9664
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179586 (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 4/50/51.	4505186.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505186.cif
50203	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505185, 4505186, 4505187, 4505188 via cif-deposit CGI script.	4505186.cif