Information card for entry 8103198

Structure parameters

• Formula: C12 H14 N O2
• Calculated formula: C12 H14 N O2
• Title of publication: Crystal structure of 1,2-bis[2-(pent-3-en-4-yl-2-one)aminophenoxy]ethane, C24H28N2O4
• Authors of publication: Cheng-Tao Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 503
• a: 14.239 ± 0.005 Å
• b: 5.148 ± 0.002 Å
• c: 15.068 ± 0.006 Å
• α: 90°
• β: 99.166 ± 0.013°
• γ: 90°
• Cell volume: 1090.4 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0484
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No