Crystallography Open Database

Information card for entry 1513269

Preview

Coordinates	1513269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H144 N4 O10
Calculated formula	C76 H113 N4 O10
Title of publication	Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†
Authors of publication	Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi
Journal of publication	Langmuir
Year of publication	2009
Journal volume	25
Journal issue	15
Pages of publication	8742 - 8750
a	11.012 ± 0.002 Å
b	13.036 ± 0.003 Å
c	28.999 ± 0.006 Å
α	84.282 ± 0.003°
β	88.588 ± 0.003°
γ	82.56 ± 0.003°
Cell volume	4107 ± 1.5 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	0.1194
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2734
Weighted residual factors for all reflections included in the refinement	0.3058
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513269.cif
99187	2014-01-30	cif/ Adding structures of 1513269 via cif-deposit CGI script.	1513269.cif