Information card for entry 2232688

Structure parameters

• Chemical name: [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone
• Formula: C34 H36 O6
• Calculated formula: C34 H36 O6
• SMILES: CCCCOc1ccc(cc1)C(=O)c1c(OC)ccc2c1c(c(cc2)OC)C(=O)c1ccc(cc1)OCCCC
• Title of publication: [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone
• Authors of publication: Sasagawa, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3354
• a: 11.093 ± 0.0002 Å
• b: 20.0537 ± 0.0003 Å
• c: 13.1409 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2923.27 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes