Information card for entry 1516483

Structure parameters

• Formula: C28 H19 N O2
• Calculated formula: C28 H19 N O2
• SMILES: N1(=C2C(=O)c3ccccc3C2=O)CC(c2c3ccccc3ccc2C=1)c1ccccc1
• Title of publication: Excited State Dynamics and Rapid Internal Conversion in a Stable Dipole Molecule
• Authors of publication: Reid, Gavin D.; Whittaker, Douglas J.; Roth, Wolfgang; Whitaker, Benjamin J.; Williamson, Matthew J. I.; Beddard, Godfrey S.
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2003
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 585 - 590
• a: 11.1602 ± 0.0002 Å
• b: 8.3306 ± 0.0002 Å
• c: 21.5276 ± 0.0006 Å
• α: 90°
• β: 100.005 ± 0.0014°
• γ: 90°
• Cell volume: 1971.01 ± 0.08 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No