Information card for entry 2215148

Structure parameters

• Chemical name: 2,4-Di-tert-butyl-6-(4-nitrophenyliminomethyl)phenol
• Formula: C21 H26 N2 O3
• Calculated formula: C21 H26 N2 O3
• SMILES: N(=C\c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)/c1ccc(N(=O)=O)cc1
• Title of publication: 2,4-Di-<i>tert</i>-butyl-6-(4-nitrophenyliminomethyl)phenol
• Authors of publication: Yi-Feng Sun; Xin-Li Wang; Shi-Ying Ma; Hong-Ji Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3746 - o3746
• a: 17.937 ± 0.004 Å
• b: 6.4674 ± 0.0013 Å
• c: 19.047 ± 0.004 Å
• α: 90°
• β: 113.31 ± 0.03°
• γ: 90°
• Cell volume: 2029.2 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.2377
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes