Information card for entry 7135068

Structure parameters

• Formula: C29 H29 N3 O4
• Calculated formula: C29 H29 N3 O4
• Title of publication: A multicomponent approach for the stereoselective synthesis of atropisomeric N-N peptide analogues.
• Authors of publication: Roper, Natalie J.; Hardy, George M.; Wootton, Jack M.; Waddell, Paul G.; Wilson, James; Armstrong, Roly J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 89
• Pages of publication: 17388 - 17391
• a: 11.9144 ± 0.0001 Å
• b: 11.0129 ± 0.0001 Å
• c: 20.0815 ± 0.0002 Å
• α: 90°
• β: 97.27 ± 0.001°
• γ: 90°
• Cell volume: 2613.75 ± 0.04 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No