Information card for entry 2216524

Structure parameters

• Chemical name: 6,7-Dihydroxy-4-methylcoumarin
• Formula: C10 H8 O4
• Calculated formula: C10 H8 O4
• SMILES: o1c(=O)cc(c2cc(O)c(O)cc12)C
• Title of publication: 6,7-Dihydroxy-4-methylcoumarin
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4785 - o4785
• a: 6.839 ± 0.002 Å
• b: 7.143 ± 0.003 Å
• c: 9.549 ± 0.003 Å
• α: 68.233 ± 0.003°
• β: 85.262 ± 0.003°
• γ: 69.443 ± 0.003°
• Cell volume: 405 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1334
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes