Information card for entry 7159526

Structure parameters

• Formula: C60.5 H50.5 Cl4.5 N9 O6
• Calculated formula: C60.5 H50.5 Cl4.5 N9 O6
• 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: 10.3827 ± 0.0003 Å
• b: 15.5971 ± 0.0004 Å
• c: 19.3486 ± 0.0006 Å
• α: 68.486 ± 0.003°
• β: 74.716 ± 0.003°
• γ: 88.134 ± 0.002°
• Cell volume: 2804.72 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No