Information card for entry 2014600

Structure parameters

• Chemical name: 9-Phenoxyacridine
• Formula: C19 H13 N O
• Calculated formula: C19 H13 N O
• SMILES: c1cccc2nc3ccccc3c(c12)Oc1ccccc1
• Title of publication: 9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine
• Authors of publication: Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o85 - o87
• a: 9.4 ± 0.003 Å
• b: 10.301 ± 0.003 Å
• c: 14.955 ± 0.004 Å
• α: 90°
• β: 106.89 ± 0.03°
• γ: 90°
• Cell volume: 1385.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes