Information card for entry 7152048

Structure parameters

• Chemical name: 1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one
• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• SMILES: O1C(=O)C[C@@H](c2ccccc2)C2=C1CCc1c2cccc1
• Title of publication: Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.
• Authors of publication: Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7510 - 7516
• a: 5.935 ± 0.0001 Å
• b: 14.0588 ± 0.0003 Å
• c: 17.2947 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1443.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No