Crystallography Open Database

Information card for entry 7153852

Preview

Coordinates	7153852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 F12 N2 O2 S2
Calculated formula	C34 H28 F12 N2 O2 S2
Title of publication	Arylpyrrole oligomers as tunable anion receptors.
Authors of publication	Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	29
Pages of publication	5492 - 5499
a	9.4849 ± 0.0008 Å
b	18.4276 ± 0.0016 Å
c	19.2588 ± 0.0017 Å
α	90°
β	92.1781 ± 0.0015°
γ	90°
Cell volume	3363.7 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0571
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153852.cif
119517	2014-07-07	cif/ Updating files of 7153852, 7153853 Original log message: Adding full bibliography for 7153852--7153853.cif.	7153852.cif
114968	2014-05-31	cif/ Adding structures of 7153852, 7153853 via cif-deposit CGI script.	7153852.cif