Information card for entry 7106548

Structure parameters

• Common name: 5H-Dibenz(b,f)azepine-5-carboxamide
• Chemical name: 5H-Dibenz(b,f)azepine-5-carboxamide
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O=C(N1c2c(C=Cc3c1cccc3)cccc2)N
• Title of publication: A strategy for producing predicted polymorphs: catemeric carbamazepine form V
• Authors of publication: Jean-Baptiste Arlin; Louise S. Price; Sarah L. Price; Alastair J. Florence
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7074
• a: 9.1245 ± 0.0005 Å
• b: 10.4518 ± 0.0005 Å
• c: 24.8224 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No