Information card for entry 8107427

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• Title of publication: Crystal structure of 1-(4-methoxyphenyl)-2-phenoxyethan-1-one, C15H14O3
• Authors of publication: Sun, Shixiong; Zhao, Benbo; Deng, Ping; Cheng, Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 317 - 318
• a: 5.5859 ± 0.001 Å
• b: 24.818 ± 0.004 Å
• c: 9.3393 ± 0.0015 Å
• α: 90°
• β: 101.128 ± 0.003°
• γ: 90°
• Cell volume: 1270.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No