Information card for entry 2007379

Structure parameters

• Common name: dibenz[c,e]azepine
• Chemical name: ±-6,7-Dihydro-1,6,11-trimethyl-5H-dibenz[c,e]azepine
• Formula: C17 H19 N
• Calculated formula: C17 H19 N
• SMILES: N1(Cc2cccc(c2c2c(cccc2C1)C)C)C
• Title of publication: (±)-6,7-Dihydro-1,6,11-trimethyl-5<i>H</i>-dibenz[<i>c</i>,<i>e</i>]azepine
• Authors of publication: Mrvoš-Sermek, Draginja; Lončar-Tomašković, Linda; Hergold-Brundić, Antonija; Mintas, Mladen; Nagl, Ante
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 877 - 879
• a: 9.168 ± 0.001 Å
• b: 9.313 ± 0.003 Å
• c: 16.59 ± 0.009 Å
• α: 90°
• β: 105.88 ± 0.02°
• γ: 90°
• Cell volume: 1362.4 ± 0.9 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.1232
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No