Information card for entry 2231860

Structure parameters

• Chemical name: Acridine 0.75-hydrate
• Formula: C13 H10.5 N O0.75
• Calculated formula: C13 H10.5 N O0.75
• SMILES: c1ccc2c(c1)nc1c(c2)cccc1.O
• Title of publication: Acridine 0.75-hydrate
• Authors of publication: Schur, Einat; Bernstein, Joel; Lemmerer, Andreas; Vainer, Radion
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2761
• a: 26.4 ± 0.005 Å
• b: 8.893 ± 0.005 Å
• c: 17.492 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4107 ± 3 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes