Information card for entry 4107018

Structure parameters

• Formula: C24 H19 N O2
• Calculated formula: C24 H19 N O2
• SMILES: OC(c1ccccc1)(c1c(n2ccccc2=O)cccc1)c1ccccc1
• Title of publication: Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding
• Authors of publication: Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17106 - 17109
• a: 17.601 ± 0.01 Å
• b: 6.388 ± 0.004 Å
• c: 18.243 ± 0.01 Å
• α: 90°
• β: 114.99 ± 0.008°
• γ: 90°
• Cell volume: 1859.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.09
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No