Information card for entry 7201925

Structure parameters

• Common name: Cytenamide form I
• Chemical name: 5H-Dibenzo[a,d]cycloheptene-5-carboxamide
• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: O=C(N)C1c2c(C=Cc3ccccc13)cccc2
• Title of publication: Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue
• Authors of publication: Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 811
• a: 33.9078 ± 0.001 Å
• b: 33.9078 ± 0.001 Å
• c: 5.6754 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5651 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No