Information card for entry 2201450

Structure parameters

• Chemical name: 3-(N,N-Dimethylamino)-4-[2,2-di(4-fluorophenyl)ehtenyl]-N-phenylmaleimide
• Formula: C26 H20 F2 N2 O2
• Calculated formula: C26 H20 F2 N2 O2
• SMILES: O=C1N(c2ccccc2)C(=O)C(=C1N(C)C)\C=C(c1ccc(F)cc1)/c1ccc(F)cc1
• Title of publication: 4-[2,2-Bis(4-fluorophenyl)ethenyl]-3-(<i>N,N</i>-dimethylamino)-<i>N</i>-phenylmaleimide
• Authors of publication: Bao-Guo Zhao; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o1028 - o1030
• a: 14.4125 ± 0.0007 Å
• b: 7.4776 ± 0.0004 Å
• c: 20.3189 ± 0.0007 Å
• α: 90°
• β: 99.787 ± 0.002°
• γ: 90°
• Cell volume: 2157.92 ± 0.17 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.1387
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes