Information card for entry 2209827

Structure parameters

• Chemical name: Ethyl 4-acetoxy-6-(dimethylamino)-2-naphthoate
• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: O(CC)C(=O)c1cc2c(cc(N(C)C)cc2)c(OC(=O)C)c1
• Title of publication: Ethyl 4-acetoxy-6-(dimethylamino)-2-naphthoate
• Authors of publication: Du, Zhi-Qiang; Huang, Zhi-Qiang; Du, Guan-Sheng; Jiang, Xuan-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3469 - o3470
• a: 12.376 ± 0.003 Å
• b: 7.041 ± 0.0016 Å
• c: 17.945 ± 0.006 Å
• α: 90°
• β: 97.853 ± 0.012°
• γ: 90°
• Cell volume: 1549.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.051
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes