Information card for entry 7128507

Structure parameters

• Formula: C51.37 H64.89 N O6.63
• Calculated formula: C51.369 H64.886 N O6.633
• Title of publication: Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.
• Authors of publication: Sugiura, Shinya; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 57
• Pages of publication: 6983 - 6986
• a: 47.954 ± 0.002 Å
• b: 47.954 ± 0.002 Å
• c: 13.5821 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27049 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.3237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No