Crystallography Open Database

Information card for entry 7153125

Preview

Coordinates	7153125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 N9 O6
Calculated formula	C24 H33 N9 O6
Title of publication	Trimethoxybenzene- and trimethylbenzene-based compounds bearing imidazole, indole and pyrrole groups as recognition units: synthesis and evaluation of the binding properties towards carbohydrates.
Authors of publication	Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	38
Pages of publication	6569 - 6579
a	11.574 ± 0.0003 Å
b	12.0274 ± 0.0003 Å
c	13.1839 ± 0.0006 Å
α	104.872 ± 0.0001°
β	101.801 ± 0.002°
γ	107.204 ± 0.0001°
Cell volume	1614.37 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.2285
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
180317 (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 7/15/31.	7153125.cif
88966	2013-10-09	cif/ Adding structures of 7153125 via cif-deposit CGI script.	7153125.cif