Information card for entry 2208831

Structure parameters

• Chemical name: Diphenyl naphthalene-1,4-dicarboxylate
• Formula: C24 H16 O4
• Calculated formula: C24 H16 O4
• SMILES: O=C(Oc1ccccc1)c1ccc(c2ccccc12)C(=O)Oc1ccccc1
• Title of publication: Diphenyl naphthalene-1,4-dicarboxylate
• Authors of publication: Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Zhi-Hua Mao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1717 - o1718
• a: 13.984 ± 0.007 Å
• b: 5.7797 ± 0.0017 Å
• c: 22.283 ± 0.006 Å
• α: 90°
• β: 92.15 ± 0.03°
• γ: 90°
• Cell volume: 1799.7 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• 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: 0.1728
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes