Information card for entry 1513261

Structure parameters

• Common name: 2,3-dibutoxy-anthracene
• Formula: C22 H26 O2
• Calculated formula: C22 H26 O2
• SMILES: c1c(c(cc2cc3ccccc3cc12)OCCCC)OCCCC
• 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: 14.6672 ± 0.0004 Å
• b: 14.6672 ± 0.0004 Å
• c: 46.706 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8701.6 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No