Information card for entry 7700588

Structure parameters

• Common name: Gross177b (Chosen)
• Formula: C50 H17 F24 Ga N6 O
• Calculated formula: C50 H17 F24 Ga N6 O
• Title of publication: Positive shift in corrole redox potentials leveraged by modest β-CF₃-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.
• Authors of publication: Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12279 - 12286
• a: 24.567 ± 0.007 Å
• b: 7.523 ± 0.002 Å
• c: 25.895 ± 0.007 Å
• α: 90°
• β: 101.163 ± 0.007°
• γ: 90°
• Cell volume: 4695 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1451
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No