Information card for entry 2243621

Structure parameters

• Common name: Goniotamirenone C
• Chemical name: 6-(2-Chloro-1-hydroxy-2-phenylethyl)-2<i>H</i>-pyran-2-one
• Formula: C13 H11 Cl O3
• Calculated formula: C13 H11 Cl O3
• Title of publication: Synthesis and crystal structure of (±)-Goniotamirenone C
• Authors of publication: Meesakul, Pornphimol; Richardson, Christopher; Laphookhieo, Surat; Pyne, Stephen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1728 - 1731
• a: 8.79348 ± 0.00019 Å
• b: 27.8665 ± 0.0005 Å
• c: 10.2288 ± 0.0003 Å
• α: 90°
• β: 112.393 ± 0.003°
• γ: 90°
• Cell volume: 2317.49 ± 0.11 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No