Information card for entry 7153374

Structure parameters

• Common name: Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate
• Chemical name: Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate
• Formula: C40.71 H42.42 Cl1.42 N3 O5
• Calculated formula: C40.712 H42.424 Cl1.424 N3 O5
• Title of publication: A new tool for photoaffinity labeling studies: a partially constrained, benzophenone based, alpha-amino acid.
• Authors of publication: Wright, Karen; Moretto, Alessandro; Crisma, Marco; Wakselman, Michel; Mazaleyrat, Jean-Paul; Formaggio, Fernando; Toniolo, Claudio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3281 - 3286
• a: 10.949 ± 0.003 Å
• b: 14.354 ± 0.003 Å
• c: 24.633 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3871.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No