Crystallography Open Database

Information card for entry 1513263

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Structure parameters

Formula	C24 H30 O2
Calculated formula	C24 H30 O2
SMILES	c1cccc2c1cc1c(c2)cc(c(c1)OCCCCC)OCCCCC
Title of publication	Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†
Authors of publication	Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre
Journal of publication	Langmuir
Year of publication	2009
Journal volume	25
Journal issue	15
Pages of publication	8606 - 8614
a	14.5525 ± 0.0008 Å
b	14.5525 ± 0.0008 Å
c	17.0822 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	3132.9 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	3
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2672
Weighted residual factors for all reflections included in the refinement	0.2729
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513263.cif
176729	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.	1513263.cif
99181	2014-01-30	cif/ Adding structures of 1513263 via cif-deposit CGI script.	1513263.cif