Information card for entry 2009126

Structure parameters

• Formula: C18 H14 O4
• Calculated formula: C18 H14 O4
• SMILES: COC(=O)c1cccc2c1cc1c(c2)cccc1C(=O)OC
• Title of publication: Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate
• Authors of publication: Aumiller, Wade D.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1855 - 1857
• a: 17.4 ± 0.003 Å
• b: 27.085 ± 0.002 Å
• c: 6.119 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.8 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No