Information card for entry 2225996

Structure parameters

• Chemical name: 4-Nitrophenyl 1-naphthoate
• Formula: C17 H11 N O4
• Calculated formula: C17 H11 N O4
• SMILES: N(=O)(=O)c1ccc(OC(=O)c2c3ccccc3ccc2)cc1
• Title of publication: 4-Nitrophenyl 1-naphthoate
• Authors of publication: Bibi, Uzma; Siddiqi, Humaira M.; Akhter, Zareen; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1023
• a: 7.2049 ± 0.0006 Å
• b: 12.8175 ± 0.0008 Å
• c: 14.7838 ± 0.0014 Å
• α: 90°
• β: 99.006 ± 0.007°
• γ: 90°
• Cell volume: 1348.44 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes