Information card for entry 2005106

Structure parameters

• Chemical name: 8,9,10,11-Tetrahydrobenz[c]acridine.
• Formula: C17 H15 N
• Calculated formula: C17 H15 N
• SMILES: n1c2CCCCc2cc2ccc3ccccc3c12
• Title of publication: 8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine
• Authors of publication: Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1813 - 1815
• a: 7.4402 ± 0.0008 Å
• b: 14.8767 ± 0.0013 Å
• c: 11.5652 ± 0.0012 Å
• α: 90°
• β: 105.539 ± 0.009°
• γ: 90°
• Cell volume: 1233.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1356
• Weighted residual factors for significantly intense reflections: 0.1279
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No