Information card for entry 7131511

Structure parameters

• Formula: C46 H66 B F4 N2 O2
• Calculated formula: C46 H66 B F3.99998 N2 O2
• Title of publication: Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability.
• Authors of publication: Das, Bindusagar; Yadav, Ritu; Sharma, Ankita; Karmakar, Tarak; Kundu, Subrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5285 - 5288
• a: 21.147 ± 0.003 Å
• b: 19.542 ± 0.003 Å
• c: 12.709 ± 0.002 Å
• α: 90°
• β: 122.108 ± 0.004°
• γ: 90°
• Cell volume: 4448.7 ± 1.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 6
• 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: 0.1881
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No