Information card for entry 2235968

Structure parameters

• Chemical name: 1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate
• Formula: C38 H24 O6
• Calculated formula: C38 H24 O6
• SMILES: O=C(c1c(OC(=O)c2ccccc2)ccc2ccc(OC(=O)c3ccccc3)c(c12)C(=O)c1ccccc1)c1ccccc1
• Title of publication: 1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate
• Authors of publication: Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2454
• a: 18.008 ± 0.0003 Å
• b: 12.4307 ± 0.0002 Å
• c: 25.3332 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5670.89 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes