Information card for entry 8101477

Structure parameters

• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: C(=C/c1ccc(cc1)C)\C(=O)c1ccccc1O
• Title of publication: Crystal structure of 2'-hydroxy-4-methylchalcone, C16H14O2
• Authors of publication: Shoja, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 27.781 ± 0.005 Å
• b: 6.657 ± 0.002 Å
• c: 14.203 ± 0.005 Å
• α: 90°
• β: 106.94 ± 0.02°
• γ: 90°
• Cell volume: 2512.7 ± 1.3 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: 0.049
• Weighted residual factors for significantly intense reflections: 0.048
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No