Information card for entry 2225900

Structure parameters

• Chemical name: <i>N</i>-[3-(5-Oxo-10,11-dihydro-5<i>H</i>- dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-ylamino)phenyl]furan-3-carboxamide
• Formula: C26 H20 N2 O3
• Calculated formula: C26 H20 N2 O3
• SMILES: c1(ccc2C(=O)c3ccccc3CCc2c1)Nc1cc(ccc1)NC(=O)c1ccoc1
• Title of publication: <i>N</i>-[3-(5-Oxo-10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-ylamino)phenyl]furan-3-carboxamide
• Authors of publication: Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1100
• a: 10.7691 ± 0.0007 Å
• b: 21.746 ± 0.001 Å
• c: 8.8666 ± 0.0006 Å
• α: 90°
• β: 101.934 ± 0.002°
• γ: 90°
• Cell volume: 2031.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes