Information card for entry 2213356

Structure parameters

• Chemical name: Ethyl 6-methoxy-2-naphthoate
• Formula: C14 H14 O3
• Calculated formula: C14 H14 O3
• SMILES: O(c1cc2ccc(cc2cc1)C(=O)OCC)C
• Title of publication: Ethyl 6-methoxy-2-naphthoate
• Authors of publication: Yathirajan, H. S.; Bindya, S.; Sarojini, B. K.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2350 - o2350
• a: 14.7132 ± 0.0009 Å
• b: 6.1977 ± 0.0004 Å
• c: 25.362 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes