Information card for entry 1573028

Structure parameters

• Formula: C30 H30 N2 O2
• Calculated formula: C30 H30 N2 O2
• Title of publication: A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.
• Authors of publication: Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 16743 - 16751
• a: 10.9149 ± 0.0001 Å
• b: 20.5392 ± 0.0002 Å
• c: 11.4675 ± 0.0001 Å
• α: 90°
• β: 103.434 ± 0.001°
• γ: 90°
• Cell volume: 2500.48 ± 0.04 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No