Crystallography Open Database

Information card for entry 7202910

7202909 << 7202910 >> 7202911

Preview

Coordinates	7202910.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex
Chemical name	1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex
Formula	C24 H26 O4
Calculated formula	C24 H25.364 O4
Title of publication	A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state
Authors of publication	Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	9
Pages of publication	786
a	10.146 ± 0.002 Å
b	17.455 ± 0.002 Å
c	12.088 ± 0.002 Å
α	90°
β	110.9 ± 0.02°
γ	90°
Cell volume	1999.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
180360 (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 7/20/29.	7202910.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202910.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202910.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7202910.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.	7202910.cif