Information card for entry 7110404

Structure parameters

• Chemical name: 1,1-dibenzoyl-2-(8-dimethylamino)naphth-1-yl)ethene
• Formula: C28 H23 N O2
• Calculated formula: C28 H23 N O2
• SMILES: O=C(C(=Cc1cccc2cccc(N(C)C)c12)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Addition of nucleophiles to electron-deficient alkenes: structural studies on the incipient reaction and the zwitterionic intermediate
• Authors of publication: Bell, Paul C.; Wallis, John D.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 257
• a: 11.2537 ± 0.0004 Å
• b: 11.4933 ± 0.0005 Å
• c: 16.7819 ± 0.0006 Å
• α: 90°
• β: 93.884 ± 0.002°
• γ: 90°
• Cell volume: 2165.62 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0902
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.1635
• Weighted residual factors for significantly intense reflections: 0.1385
• Goodness-of-fit parameter for all reflections: 0.976
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No