Information card for entry 2202657

Structure parameters

• Chemical name: 2-(N,N-Diacetamido)-3a,4,9,9a-tetrahydro-4,9-[1',2']benzeno-1H- benzo[f]isoindole-1,3(2H)-dione
• Formula: C22 H18 N2 O4
• Calculated formula: C22 H18 N2 O4
• SMILES: O=C1[C@H]2C3c4ccccc4C(c4c3cccc4)[C@H]2C(=O)N1N(C(=O)C)C(=O)C
• Title of publication: 2-(<i>N</i>,<i>N</i>-Diacetamido)-3a,4,9,9a-tetrahydro-4,9-[1',2']benzeno-1<i>H</i>-benzo[<i>f</i>]isoindole-1,3(2<i>H</i>)-dione
• Authors of publication: Wolska, Irena; Hejchman, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2007 - o2009
• a: 12.595 ± 0.001 Å
• b: 11.55 ± 0.001 Å
• c: 13.938 ± 0.002 Å
• α: 90°
• β: 116.46 ± 0.01°
• γ: 90°
• Cell volume: 1815.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes