Crystallography Open Database

Information card for entry 7202766

7202765 << 7202766 >> 7202767

Preview

Coordinates	7202766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N2 O3
Calculated formula	C25 H20 N2 O3
SMILES	c1cc(O)ccc1C(=O)c1ccc(cc1)O.c1cc(ccn1)/C=C/c1ccncc1
Title of publication	Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs
Authors of publication	Wang, Jing; Ding, Liyu; Yang, Caiqin
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	7
Pages of publication	591
a	23.76 ± 0.002 Å
b	6.0368 ± 0.0005 Å
c	13.6085 ± 0.0012 Å
α	90°
β	101.123 ± 0.003°
γ	90°
Cell volume	1915.3 ± 0.3 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
180358 (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 7/20/27.	7202766.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202766.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202766.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202766.cif