Information card for entry 1569616

Structure parameters

• Formula: C19 H26 N O2
• Calculated formula: C19 H26 N O2
• Title of publication: A rational design strategy of radical-type mechanophores with thermal tolerance.
• Authors of publication: Lu, Yi; Sugita, Hajime; Mikami, Koichiro; Aoki, Daisuke; Otsuka, Hideyuki
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 33
• Pages of publication: 8792 - 8797
• a: 14.4625 ± 0.0001 Å
• b: 15.6058 ± 0.0001 Å
• c: 17.0684 ± 0.0001 Å
• α: 90°
• β: 112.524 ± 0.001°
• γ: 90°
• Cell volume: 3558.46 ± 0.05 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No