Crystallography Open Database

Information card for entry 1513268

Preview

Coordinates	1513268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H74 N2 O5
Calculated formula	C38 H74 N2 O5
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	9.3702 ± 0.0004 Å
b	9.6182 ± 0.0004 Å
c	23.4102 ± 0.001 Å
α	80.173 ± 0.002°
β	83.684 ± 0.002°
γ	69.123 ± 0.002°
Cell volume	1939.62 ± 0.14 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	0.0737
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1513268.cif
99186	2014-01-30	cif/ Adding structures of 1513268 via cif-deposit CGI script.	1513268.cif