Information card for entry 2208535

Structure parameters

• Chemical name: (±)1-Hydroxy-6,6-dimethyl-1H,6H-naphtho[1,2-c]furan-3,9-trione.
• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• Title of publication: (±)-1-Hydroxy-6,6-dimethyl-1<i>H</i>,6<i>H</i>-naphtho[1,2-<i>c</i>]furan-3,9-trione
• Authors of publication: Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1440 - o1442
• a: 10.4825 ± 0.0013 Å
• b: 7.0735 ± 0.0017 Å
• c: 16.081 ± 0.003 Å
• α: 90°
• β: 90.556 ± 0.012°
• γ: 90°
• Cell volume: 1192.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes