Information card for entry 2225033

Structure parameters

• Chemical name: Bis(4-bromobenzoyl)(2,7-dimethoxynaphthalene-1,8-diyl)dimethanone
• Formula: C26 H18 Br2 O4
• Calculated formula: C26 H18 Br2 O4
• SMILES: Brc1ccc(C(=O)c2c(OC)ccc3ccc(OC)c(c23)C(=O)c2ccc(Br)cc2)cc1
• Title of publication: Bis(4-bromobenzoyl)(2,7-dimethoxynaphthalene-1,8-diyl)dimethanone
• Authors of publication: Watanabe, Shoji; Nakaema, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o403
• a: 7.8748 ± 0.0005 Å
• b: 25.7908 ± 0.0016 Å
• c: 11.5618 ± 0.0007 Å
• α: 90°
• β: 100.982 ± 0.004°
• γ: 90°
• Cell volume: 2305.2 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes