Information card for entry 8107394

Structure parameters

• Common name: Phellodenol-A
• Chemical name: 7-hydroxy-6-(2-hydroxyethyl)-2<i>H</i>-chromen-2-one
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• Title of publication: Crystal structure of 7-hydroxy-6-(2-hydroxyethyl)-2H-chromen-2-one, C11H10O4
• Authors of publication: Huang, Hua; Yang, Jing; Sun, Yi-chun; Ye, Jiang-Hai; He, Kang; Zou, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 201 - 202
• a: 4.8622 ± 0.0005 Å
• b: 6.7853 ± 0.0007 Å
• c: 14.3349 ± 0.0017 Å
• α: 90°
• β: 96.556 ± 0.003°
• γ: 90°
• Cell volume: 469.84 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No