Information card for entry 2014681

Structure parameters

• Chemical name: 2,5-dimethylphenyl acridine-9-carboxylate
• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: c1cccc2nc3ccccc3c(c12)C(=O)Oc1c(ccc(c1)C)C
• Title of publication: 2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate
• Authors of publication: Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o50 - o52
• a: 11.769 ± 0.002 Å
• b: 15.404 ± 0.003 Å
• c: 10.125 ± 0.002 Å
• α: 90°
• β: 115.18 ± 0.03°
• γ: 90°
• Cell volume: 1661.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No