Information card for entry 7204653

Structure parameters

• Common name: cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)
• Chemical name: cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)
• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O1[C@@H]([C@H](O)c2ccccc12)C(=O)c1ccccc1.O1[C@H]([C@@H](O)c2ccccc12)C(=O)c1ccccc1
• Title of publication: Preparative and mechanistic studies of solvent-free Rap‒Stoermer reactions
• Authors of publication: Kazuhiro Yoshizawa; Shinji Toyota; Fumio Toda; Ingeborg Csöregh
• Journal of publication: Green Chem.
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 353 - 356
• a: 5.912 ± 0.001 Å
• b: 8.043 ± 0.001 Å
• c: 25.07 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No