Information card for entry 2237431

Structure parameters

• Chemical name: Phenyl acridine-9-carboxylate
• Formula: C20 H13 N O2
• Calculated formula: C20 H13 N O2
• SMILES: c1cccc2nc3ccccc3c(c12)C(=O)Oc1ccccc1
• Title of publication: Phenyl acridine-9-carboxylate
• Authors of publication: Wera, Michał; Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o305
• a: 17.094 ± 0.002 Å
• b: 5.4175 ± 0.0007 Å
• c: 16.31 ± 0.002 Å
• α: 90°
• β: 95.545 ± 0.011°
• γ: 90°
• Cell volume: 1503.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes