Crystallography Open Database

Information card for entry 7151102

Preview

Coordinates	7151102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94.69 H126.1 N8.65 O13.38
Calculated formula	C94.69 H126.106 N8.655 O13.38
Title of publication	Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.
Authors of publication	Szumna, Agnieszka
Journal of publication	Organic & biomolecular chemistry
Year of publication	2007
Journal volume	5
Journal issue	9
Pages of publication	1358 - 1368
a	23.3843 ± 0.0006 Å
b	23.3843 ± 0.0006 Å
c	8.2561 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4514.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	0.776
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151102.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151102.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151102.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.	7151102.cif