Information card for entry 2237979

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide
• Formula: C26 H31 N3 O2
• Calculated formula: C26 H31 N3 O2
• SMILES: c1(ccc(cc1)OC)NC(C(=N\c1ccc(cc1)OC)/NC(C)(C)C)c1ccccc1
• Title of publication: (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide
• Authors of publication: Roberts, Sue A.; Saha, Biswajit; Frett, Brendan; Li, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o902
• a: 10.0804 ± 0.0017 Å
• b: 10.5784 ± 0.0017 Å
• c: 11.1573 ± 0.0018 Å
• α: 80.982 ± 0.004°
• β: 85.152 ± 0.004°
• γ: 80.27 ± 0.004°
• Cell volume: 1156.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes