Information card for entry 2012572

Structure parameters

• Chemical name: 2-Methylphenyl 2-methoxyacridine-9-carboxylate
• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• SMILES: c1c(ccc2nc3ccccc3c(c12)C(=O)Oc1c(cccc1)C)OC
• Title of publication: 2-Methylphenyl 2-methoxyacridine-9-carboxylate
• Authors of publication: Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o157 - o158
• a: 13.393 ± 0.003 Å
• b: 9.233 ± 0.002 Å
• c: 14.162 ± 0.003 Å
• α: 90°
• β: 91.81 ± 0.03°
• γ: 90°
• Cell volume: 1750.4 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes