Information card for entry 2010521

Structure parameters

• Common name: (Z)-3-benzylidene-N-phenylisoindolin-1-one
• Chemical name: (Z)-3-benzylidene-N-phenylisoindolin-1-one
• Formula: C21 H15 N O
• Calculated formula: C21 H15 N O
• SMILES: N1(c2ccccc2)C(=O)c2ccccc2/C1=C/c1ccccc1
• Title of publication: Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones
• Authors of publication: Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 85 - 87
• a: 9.366 ± 0.003 Å
• b: 19.875 ± 0.001 Å
• c: 8.204 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1527.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No