Information card for entry 7132200

Structure parameters

• Formula: C82 H70 F24 N6 P4
• Calculated formula: C82 H70 F24 N6 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n+]12Cc3ccc(cc3)C[n+]3ccc(cc3)c3ccc(cc3)c3cc[n+](cc3)Cc3ccc(C[n+]4ccc(c5ccc(c(cc1)cc2)cc5)cc4)cc3.c12c(cccc1)cc1c(c2C)cccc1.c12ccccc1cc1c(c2C)cccc1.N#CC.N#CC
• Title of publication: Visible light-mediated C(sp3)-H bond functionalization inside an all-organic nanocavity
• Authors of publication: Roy, Debojyoti; Paul, Sunandita; Dasgupta, Jyotishman
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.3744 ± 0.0005 Å
• b: 16.8795 ± 0.0005 Å
• c: 19.4847 ± 0.0008 Å
• α: 66.889 ± 0.003°
• β: 79.115 ± 0.003°
• γ: 85.113 ± 0.003°
• Cell volume: 3675.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1144
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No