Information card for entry 2213494

Structure parameters

• Chemical name: 9-benzylacridine
• Formula: C20 H15 N
• Calculated formula: C20 H15 N
• SMILES: c1cccc2nc3ccccc3c(c12)Cc1ccccc1
• Title of publication: 9-Benzylacridine
• Authors of publication: Artur Sikorski; Katarzyna Kowalska; Karol Krzymiński; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2670 - o2672
• a: 10.713 ± 0.002 Å
• b: 10.605 ± 0.002 Å
• c: 13.033 ± 0.003 Å
• α: 90°
• β: 105.33 ± 0.03°
• γ: 90°
• Cell volume: 1428 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 3
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes