Crystallography Open Database

Information card for entry 7207737

7207736 << 7207737 >> 7207738

Preview

Coordinates	7207737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 O4
Calculated formula	C14 H8 O4
Title of publication	On two alizarin polymorphs
Authors of publication	Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	3667
a	8.1319 ± 0.0004 Å
b	3.7102 ± 0.0002 Å
c	16.8711 ± 0.0009 Å
α	90°
β	100.455 ± 0.005°
γ	90°
Cell volume	500.57 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180408 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/77.	7207737.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207737.cif
55909	2012-05-08	cif/ Adding structures of 7207736, 7207737 via cif-deposit CGI script.	7207737.cif