Information card for entry 2007121

Structure parameters

• Chemical name: 2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one
• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: O1C(CC(=O)c2cc(c(cc12)C)C)c1ccccc1
• Title of publication: 2,3-Dihydro-6,7-dimethyl-2-phenyl-4<i>H</i>-1-benzopyran-4-one
• Authors of publication: Suchada Chantrapromma; Narintha Chawaluechai; Chatchanok Karalai; Kan Chantrapromma; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: IUC9800007
• a: 5.057 ± 0.002 Å
• b: 11.046 ± 0.002 Å
• c: 12.531 ± 0.002 Å
• α: 88.525 ± 0.014°
• β: 87.03 ± 0.02°
• γ: 79.29 ± 0.02°
• Cell volume: 686.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1658
• Weighted residual factors for significantly intense reflections: 0.151
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No