Information card for entry 2209102

Structure parameters

• Chemical name: Diethyl naphthalene-1,4-dicarboxylate
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: O(C(=O)c1ccc(c2ccccc12)C(=O)OCC)CC
• Title of publication: Diethyl naphthalene-1,4-dicarboxylate
• Authors of publication: Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Zhi-Hua Mao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2300 - o2301
• a: 24.731 ± 0.007 Å
• b: 7.2792 ± 0.0016 Å
• c: 16.151 ± 0.004 Å
• α: 90°
• β: 95.277 ± 0.019°
• γ: 90°
• Cell volume: 2895.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes