Crystallography Open Database

Information card for entry 1513267

Preview

Coordinates	1513267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 N O2
Calculated formula	C18 H38 N O2
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	5.063 ± 0.0011 Å
b	5.6437 ± 0.0012 Å
c	35.086 ± 0.007 Å
α	88.678 ± 0.004°
β	87.339 ± 0.004°
γ	81.574 ± 0.004°
Cell volume	990.5 ± 0.4 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	0.1538
Residual factor for significantly intense reflections	0.1114
Weighted residual factors for significantly intense reflections	0.2372
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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.	1513267.cif
99185	2014-01-30	cif/ Adding structures of 1513267 via cif-deposit CGI script.	1513267.cif