Information card for entry 8104763

Structure parameters

• Chemical name: 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one
• Formula: C16 H14 O5
• Calculated formula: C16 H14 O5
• SMILES: O(c1cc(OC)c2c(c1)cc1OC(=CC(=O)c1c2O)C)C
• Title of publication: The crystal structure of 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one– rubrofusarin B, C16H14O5
• Authors of publication: Zou, Ting-Guang; Guo, Si-Yu; Zhu, Jing-Lin; Wang, Sheng; Lin, Ling-Yin; Tao, Yi-Wen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 549 - 550
• a: 9.0005 ± 0.0011 Å
• b: 16.0386 ± 0.0015 Å
• c: 9.8434 ± 0.0011 Å
• α: 90°
• β: 114.861 ± 0.014°
• γ: 90°
• Cell volume: 1289.3 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.058
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No