Information card for entry 1573598

Structure parameters

• Formula: C84 H69 N9 O8
• Calculated formula: C84 H69 N9 O8
• 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: 14.434 ± 0.003 Å
• b: 15.041 ± 0.003 Å
• c: 30.493 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6620 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No