Information card for entry 2226797

Structure parameters

• Chemical name: 7-Hydroxy-6-methoxy-2<i>H</i>-chromen-2-one
• Formula: C10 H8 O4
• Calculated formula: C10 H8 O4
• SMILES: o1c2cc(O)c(OC)cc2ccc1=O
• Title of publication: 7-Hydroxy-6-methoxy-2<i>H</i>-chromen-2-one
• Authors of publication: Beh, Hooi-Kheng; Ismail, Zhari; Asmawi, Mohd Zaini; Loh, Wan-Sin; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2138
• a: 7.0771 ± 0.0002 Å
• b: 17.3485 ± 0.0004 Å
• c: 6.9672 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 855.41 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes