Information card for entry 2237368

Structure parameters

• Chemical name: 2,6-Dimethylphenyl acridine-9-carboxylate
• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: c1cccc2nc3ccccc3c(c12)C(=O)Oc1c(cccc1C)C
• Title of publication: 2,6-Dimethylphenyl acridine-9-carboxylate
• Authors of publication: Trzybiński, Damian; Wera, Michał; Krzymiński, Karol; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o166
• a: 12.8617 ± 0.001 Å
• b: 7.5352 ± 0.0005 Å
• c: 17.595 ± 0.0015 Å
• α: 90°
• β: 103.143 ± 0.008°
• γ: 90°
• Cell volume: 1660.6 ± 0.2 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: 0.0918
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes