Information card for entry 7160440

Structure parameters

• Formula: C31 H25 N9 O2
• Calculated formula: C31 H25 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: 17.5812 ± 0.0001 Å
• b: 42.4637 ± 0.0002 Å
• c: 7.0686 ± 0.00005 Å
• α: 90°
• β: 95.571 ± 0.001°
• γ: 90°
• Cell volume: 5252.23 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.1041
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No