Information card for entry 7159586

Structure parameters

• Common name: relB82 - 17ECA001
• Formula: C32 H47 N O5 Si
• Calculated formula: C32 H47 N O5 Si
• Title of publication: β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study.
• Authors of publication: Reza, David; Balo, Rosalino; Otero, José M; Fletcher, Ai M.; García-Fandino, Rebeca; Sánchez-Pedregal, Víctor M; Davies, Stephen G.; Estévez, Ramón J; Estévez, Juan C
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 42
• Pages of publication: 8535 - 8547
• a: 7.7332 ± 0.0003 Å
• b: 8.4891 ± 0.0004 Å
• c: 24.0949 ± 0.0009 Å
• α: 90°
• β: 95.619 ± 0.002°
• γ: 90°
• Cell volume: 1574.18 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No