Information card for entry 8104631

Structure parameters

• Common name: 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl
• Formula: C40 H28 O8
• Calculated formula: C40 H28 O8
• SMILES: O=C(c1c(OC(=O)c2ccccc2)ccc2ccc(OC(=O)c3ccccc3)c(c12)C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8
• Authors of publication: Kobayashi, Miyuki; Iida, Kikuko; Iitsuka, Hiroaki; Li, Kun; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 945 - 947
• a: 27.0291 ± 0.0004 Å
• b: 14.5593 ± 0.0002 Å
• c: 7.95172 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3129.2 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No