Information card for entry 7242074

Structure parameters

• Formula: C30 H44 N4 O13.5
• Calculated formula: C30 H44 N4 O13.5
• Title of publication: A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts
• Authors of publication: Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 18.9606 ± 0.0002 Å
• b: 14.2438 ± 0.0002 Å
• c: 25.8792 ± 0.0003 Å
• α: 90°
• β: 90.02 ± 0.001°
• γ: 90°
• Cell volume: 6989.22 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No