Information card for entry 2241704

Structure parameters

• Chemical name: <i>trans</i>-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)oxamide methanol monosolvate
• Formula: C31 H48 N2 O5
• Calculated formula: C30.9994 H47.9982 N2 O5
• Title of publication: Crystal structure of <i>trans</i>-<i>N</i>,<i>N</i>'-bis(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)oxamide methanol monosolvate
• Authors of publication: Velázquez-Carmona, Miguel-Ángel; Bernès, Sylvain; Ríos-Merino, Francisco Javier; Reyes Ortega, Yasmi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 918 - 921
• a: 27.614 ± 0.003 Å
• b: 10.5561 ± 0.0011 Å
• c: 10.6875 ± 0.0009 Å
• α: 90°
• β: 91.722 ± 0.009°
• γ: 90°
• Cell volume: 3114 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes