Information card for entry 8105329

Structure parameters

• Chemical name: 2-(2, 3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• Title of publication: The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5
• Authors of publication: Koh, Dongsoo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 913 - 914
• a: 11.758 ± 0.0007 Å
• b: 8.3745 ± 0.0005 Å
• c: 13.8754 ± 0.0008 Å
• α: 90°
• β: 92.622 ± 0.002°
• γ: 90°
• Cell volume: 1364.84 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No