Crystallography Open Database

Information card for entry 7115711

Preview

Coordinates	7115711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N6 O6
Calculated formula	C36 H40 N6 O6
Title of publication	Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties
Authors of publication	Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	11863
a	8.387 ± 0.0004 Å
b	14.2432 ± 0.0005 Å
c	14.6816 ± 0.0007 Å
α	90°
β	104.354 ± 0.002°
γ	90°
Cell volume	1699.08 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180271 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/57.	7115711.cif
125999	2014-10-30	cif/ Adding structures of 7115709, 7115710, 7115711 via cif-deposit CGI script.	7115711.cif