Information card for entry 7124583

Structure parameters

• Common name: MAAC-COPh-Cl Cation
• Formula: C31 H35 Cl N2 O2
• Calculated formula: C31 H35 Cl N2 O2
• 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: 10.4748 ± 0.001 Å
• b: 17.8218 ± 0.0017 Å
• c: 15.4388 ± 0.0014 Å
• α: 90°
• β: 105.179 ± 0.007°
• γ: 90°
• Cell volume: 2781.6 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No