Information card for entry 7130263

Structure parameters

• Common name: GZ-479
• Formula: C21 H21 F12 N5 P2
• Calculated formula: C21 H21 F12 N5 P2
• 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: 9.2706 ± 0.0003 Å
• b: 9.6225 ± 0.0003 Å
• c: 14.6054 ± 0.0005 Å
• α: 88.272 ± 0.001°
• β: 72.816 ± 0.001°
• γ: 83.884 ± 0.001°
• Cell volume: 1237.65 ± 0.07 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: 0.0435
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No