Information card for entry 1513264

Structure parameters

• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: O(c1c(OCC)cc2c(cc3c(c2)cccc3)c1)CC
• 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: 8.6007 ± 0.0014 Å
• b: 7.8074 ± 0.0011 Å
• c: 21.612 ± 0.004 Å
• α: 90°
• β: 100.929 ± 0.008°
• γ: 90°
• Cell volume: 1424.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.205
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No