Information card for entry 1573596

Structure parameters

• Formula: C56 H42 N6 O5
• Calculated formula: C56 H42 N6 O5
• Title of publication: Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
• Authors of publication: Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3459 - 3469
• a: 8.418 ± 0.0017 Å
• b: 12.809 ± 0.003 Å
• c: 40.083 ± 0.008 Å
• α: 91.42 ± 0.03°
• β: 92.29 ± 0.03°
• γ: 106.79 ± 0.03°
• Cell volume: 4131.5 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1474
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2804
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No