Information card for entry 7124529

Structure parameters

• Formula: C36 H48 N6 O6
• Calculated formula: C36 H48 N6 O6
• Title of publication: Visible-light unmasking of heterocyclic quinone methide radicals from alkoxyamines
• Authors of publication: Kielty, Patrick; Farràs, Pau; McArdle, Patrick; Smith, Dennis A.; Aldabbagh, Fawaz
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.0407 ± 0.0003 Å
• b: 21.1209 ± 0.0012 Å
• c: 27.1076 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3458.5 ± 0.3 ų
• Cell temperature: 298.9 ± 0.5 K
• Ambient diffraction temperature: 298.9 ± 0.5 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: 0.0942
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No