Information card for entry 8106119

Structure parameters

• Formula: C10 H11 I O
• Calculated formula: C10 H11 I O
• Title of publication: The Crystal structure of 2-iodo-1-(p-tolyl)propan-1-one, C10H11IO
• Authors of publication: Liu, Hui; Li, Linglan; Zhang, Shu; Miao, Junfeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 265 - 266
• a: 6.5799 ± 0.0005 Å
• b: 10.1508 ± 0.0009 Å
• c: 15.0983 ± 0.0012 Å
• α: 90°
• β: 92.313 ± 0.007°
• γ: 90°
• Cell volume: 1007.61 ± 0.14 ų
• Cell temperature: 297.28 ± 0.1 K
• Ambient diffraction temperature: 297.28 ± 0.1 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: 0.0436
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No