Information card for entry 7223435

Structure parameters

• Chemical name: 4-(4-amino-2,5-diisobutoxyamido)-3-isobutoxybenzoic acid
• Formula: C26 H36 N2 O6
• Calculated formula: C26 H36 N2 O6
• Title of publication: Design, synthesis and conformational analyses of bifacial benzamide based foldamers
• Authors of publication: Rodriguez-Marin, Silvia; Murphy, Natasha S.; Shepherd, Helena J.; Wilson, Andrew J.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 126
• Pages of publication: 104187
• a: 22.224 ± 0.003 Å
• b: 16.806 ± 0.002 Å
• c: 15.8146 ± 0.0019 Å
• α: 90°
• β: 113.877 ± 0.006°
• γ: 90°
• Cell volume: 5401.2 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No