Information card for entry 7124584

Structure parameters

• Common name: IPr-COPh-Cl Cation
• Formula: C35 H43 Cl3 N2 O
• Calculated formula: C35 H43 Cl3 N2 O
• Title of publication: Carbene-derived α-acyl formamidinium cations: organic molecules with readily tunable multiple redox processes.
• Authors of publication: Deardorff, Cassie L.; Eric Sikma, R.; Rhodes, Christopher P.; Hudnall, Todd W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9024 - 9027
• a: 11.4742 ± 0.0018 Å
• b: 11.8275 ± 0.0019 Å
• c: 12.891 ± 0.002 Å
• α: 81.869 ± 0.006°
• β: 87.309 ± 0.006°
• γ: 88.774 ± 0.006°
• Cell volume: 1729.8 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1924
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No