Information card for entry 2005557

Structure parameters

• Formula: C10 H6 O3
• Calculated formula: C10 H6 O3
• SMILES: O=C1C(=CC(=O)c2ccccc12)O
• Title of publication: 2-Hydroxy-1,4-naphthoquinone
• Authors of publication: Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2896 - 2899
• a: 7.1195 ± 0.0006 Å
• b: 9.5287 ± 0.0008 Å
• c: 12.3059 ± 0.0008 Å
• α: 82.08 ± 0.007°
• β: 75.48 ± 0.006°
• γ: 76.48 ± 0.007°
• Cell volume: 782.98 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.1258
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No