Information card for entry 8105700

Structure parameters

• Formula: C15 H14 O2 S
• Calculated formula: C15 H14 O2 S
• Title of publication: Crystal structure of 4-Hydroxy-3-(naphthalen-2-ylthio)pent-3-en-2-one, C15H14O2S
• Authors of publication: Wen, Ya-Xin; Guo, Ya-Fei; Dong, Le; Ma, Jun-Ying; Fan, Bing-You
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 373 - 375
• a: 13.5881 ± 0.0011 Å
• b: 7.3129 ± 0.0009 Å
• c: 13.3284 ± 0.0011 Å
• α: 90°
• β: 96.125 ± 0.007°
• γ: 90°
• Cell volume: 1316.9 ± 0.2 ų
• Cell temperature: 288 K
• Ambient diffraction temperature: 288 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No