Information card for entry 7160437

Structure parameters

• Formula: C32 H27 Cl2 N9 O2
• Calculated formula: C32 H27 Cl2 N9 O2
• Title of publication: Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer.
• Authors of publication: Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5590 - 5599
• a: 22.019 ± 0.01 Å
• b: 12.786 ± 0.006 Å
• c: 10.554 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971 ± 2 ų
• Cell temperature: 99.94 K
• Ambient diffraction temperature: 99.94 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2424
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No