Information card for entry 2218698

Structure parameters

• Chemical name: Ethyl anthracene-9-carboxylate
• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O=C(OCC)c1c2ccccc2cc2ccccc12
• Title of publication: Ethyl anthracene-9-carboxylate
• Authors of publication: Weber, Edwin; Seichter, Wilhelm; Fischer, Conrad; Bendrath, L. M. S. Franziska; Ibragimov, Bakhtiyar T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1288
• a: 8.5431 ± 0.0006 Å
• b: 10.2137 ± 0.0007 Å
• c: 14.5426 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.94 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No