Information card for entry 7159527

Structure parameters

• Formula: C14 H14 N4 O
• Calculated formula: C14 H14 N4 O
• Title of publication: Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.
• Authors of publication: Pike, Sarah J.; Telford, Richard; Male, Louise
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 7717 - 7723
• a: 4.7704 ± 0.0002 Å
• b: 9.7654 ± 0.0004 Å
• c: 26.4117 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.39 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0403
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No