Information card for entry 7154657

Structure parameters

• Common name: Cbz-(rac)-(αMe)ValAib4OtBu
• Chemical name: racemic CbzMeValAib4OtBu
• Formula: C34 H55 N5 O8
• Calculated formula: C34 H55 N5 O8
• Title of publication: Helical peptaibol mimics are better ionophores when racemic than when enantiopure.
• Authors of publication: Pike, Sarah J.; Jones, Jennifer E.; Raftery, James; Clayden, Jonathan; Webb, Simon J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 9580 - 9584
• a: 11.4534 ± 0.0008 Å
• b: 11.6801 ± 0.0009 Å
• c: 14.4308 ± 0.0011 Å
• α: 96.466 ± 0.005°
• β: 102.806 ± 0.004°
• γ: 90.975 ± 0.004°
• Cell volume: 1868.8 ± 0.2 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: 0.0631
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No