Information card for entry 7130264

Structure parameters

• Formula: C84 H75 F24 N13 P4
• Calculated formula: C84 H75 F24 N13 P4
• Title of publication: Giant N-heterocyclic carbene-containing macrocycles for cobalt-catalysed hydroboration of alkynes
• Authors of publication: Zhang, Guoqi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.923 ± 0.0003 Å
• b: 12.4296 ± 0.0003 Å
• c: 18.4932 ± 0.0006 Å
• α: 82.99 ± 0.0018°
• β: 87.0124 ± 0.0019°
• γ: 85.1082 ± 0.0017°
• Cell volume: 2026.52 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0997
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No