Information card for entry 7131512

Structure parameters

• Formula: C42 H62 B F4 N2 O2
• Calculated formula: C42 H62 B F4 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: 9.5562 ± 0.0005 Å
• b: 12.4168 ± 0.0007 Å
• c: 18.0018 ± 0.0009 Å
• α: 75.944 ± 0.003°
• β: 87.24 ± 0.003°
• γ: 75.943 ± 0.003°
• Cell volume: 2009.91 ± 0.19 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1699
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0506
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No