Information card for entry 2201375

Structure parameters

• Chemical name: 4-(N,N-Dimethylamino)-3-(2,2-diphenylethenyl)coumarin
• Formula: C25 H21 N O2
• Calculated formula: C25 H21 N O2
• SMILES: o1c(=O)c(c(N(C)C)c2c1cccc2)C=C(c1ccccc1)c1ccccc1
• Title of publication: 4-(<i>N,N</i>-Dimethylamino)-3-(2,2-diphenylethenyl)coumarin
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Bao-Guo Zhao; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o756 - o757
• a: 12.4191 ± 0.0003 Å
• b: 8.8571 ± 0.0002 Å
• c: 17.6617 ± 0.0003 Å
• α: 90°
• β: 96.313 ± 0.001°
• γ: 90°
• Cell volume: 1930.96 ± 0.07 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes