Information card for entry 2243713

Structure parameters

• Common name: Lawinal
• Chemical name: (2<i>S</i>)-5,7-Dihydroxy-6-methyl-4-oxo-2-phenylchromane-8-carbaldehyde
• Formula: C17 H14 O5
• Calculated formula: C17 H14 O5
• SMILES: O1[C@@H](CC(=O)c2c(O)c(c(O)c(C=O)c12)C)c1ccccc1
• Title of publication: Isolation and crystal structure of lawinal
• Authors of publication: Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 75 - 78
• a: 18.9581 ± 0.0014 Å
• b: 6.6461 ± 0.0004 Å
• c: 22.4043 ± 0.0016 Å
• α: 90°
• β: 94.163 ± 0.007°
• γ: 90°
• Cell volume: 2815.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes