Information card for entry 2008190

Structure parameters

• Chemical name: 9-hydroxy-4-methyl-9,10-dihydro-7,8-benzocoumarin
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: o1c(=O)cc(c2ccc3c(c12)CC(C=C3)O)C
• Title of publication: 9-Hydroxy-4-methyl-9,10-dihydrobenzo[<i>h</i>]coumarin
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: IUC9900011
• a: 8.0436 ± 0.0002 Å
• b: 8.7719 ± 0.0003 Å
• c: 8.9585 ± 0.0003 Å
• α: 73.188 ± 0.001°
• β: 63.829 ± 0.001°
• γ: 73.398 ± 0.002°
• Cell volume: 533.76 ± 0.03 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: 0.095
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No