Information card for entry 4023590

Structure parameters

• Formula: C21 H16 N2 O3
• Calculated formula: C21 H16 N2 O3
• Title of publication: Synthesis of Quinolines from 3-Formylchromone
• Authors of publication: Andrey S. Plaskon; Sergey V. Ryabukhin; Dmitriy M. Volochnyuk; Konstantin S. Gavrilenko; Alexander N. Shivanyuk; Andrey A. Tolmachev
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6010 - 6013
• a: 8.0329 ± 0.0005 Å
• b: 14.4154 ± 0.0019 Å
• c: 14.0598 ± 0.0017 Å
• α: 90°
• β: 96.782 ± 0.006°
• γ: 90°
• Cell volume: 1616.7 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No