Information card for entry 8107196

Structure parameters

• Formula: C21 H26 N2 O2
• Calculated formula: C21 H26 N2 O2
• SMILES: Oc1c(cccc1C(C)(C)C)/C=N/c1ccc(cc1)/C(=N/OCC)C
• Title of publication: Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
• Authors of publication: Zhao, Ji-Xing; Chen, Da-Qun; Wu, Lei-Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 711 - 713
• a: 7.1425 ± 0.0007 Å
• b: 9.2733 ± 0.0008 Å
• c: 14.3161 ± 0.0013 Å
• α: 90°
• β: 93.592 ± 0.004°
• γ: 90°
• Cell volume: 946.36 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No