Information card for entry 2008454

Structure parameters

• Chemical name: Dibenzo[b,f]azepin-2-one
• Formula: C14 H9 N O
• Calculated formula: C14 H9 N O
• SMILES: O=c1ccc2nc3ccccc3ccc2c1
• Title of publication: 2<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-2-one
• Authors of publication: Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 819 - 821
• a: 11.5121 ± 0.0003 Å
• b: 8.5186 ± 0.0003 Å
• c: 20.4454 ± 0.0007 Å
• α: 90°
• β: 100.768 ± 0.002°
• γ: 90°
• Cell volume: 1969.71 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No