Information card for entry 7160438

Structure parameters

• Formula: C35 H33 N9 O3
• Calculated formula: C35 H33 N9 O3
• 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: 11.5123 ± 0.0005 Å
• b: 10.4201 ± 0.0005 Å
• c: 12.7453 ± 0.0005 Å
• α: 90°
• β: 92.318 ± 0.004°
• γ: 90°
• Cell volume: 1527.67 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No