Crystallography Open Database

Information card for entry 7220540

7220539 << 7220540 >> 7220541

Preview

Coordinates	7220540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H120 N14 O26
Calculated formula	C90 H120 N14 O26
Title of publication	Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies
Authors of publication	Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan
Journal of publication	RSC Adv.
Year of publication	2015
a	38.647 ± 0.004 Å
b	10.5794 ± 0.0011 Å
c	23.724 ± 0.003 Å
α	90°
β	97.545 ± 0.003°
γ	90°
Cell volume	9615.9 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0926
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220540.cif
137197	2015-05-22	cif/ Adding structures of 7220538, 7220539, 7220540, 7220541, 7220542 via cif-deposit CGI script.	7220540.cif