Information card for entry 8101485

Structure parameters

• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O1c2c(C(=O)CC1c1c(O)cccc1)cccc2
• Title of publication: Crystal structure of 2'-hydroxyflavanone, C15H12O3
• Authors of publication: Shoja, M.; Samuel, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 239 - 240
• a: 24.021 ± 0.005 Å
• b: 4.978 ± 0.004 Å
• c: 20.996 ± 0.002 Å
• α: 90°
• β: 112.69 ± 0.01°
• γ: 90°
• Cell volume: 2316 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.07
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No