Information card for entry 7125436

Structure parameters

• Formula: C25 H29 B F3 N7 O5 S W
• Calculated formula: C25 H29 B F3 N7 O5 S W
• Title of publication: Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes
• Authors of publication: Hill, Anthony; Frogley, Benjamin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 33.2746 ± 0.0005 Å
• b: 13.8436 ± 0.0002 Å
• c: 14.0874 ± 0.0002 Å
• α: 90°
• β: 98.529 ± 0.001°
• γ: 90°
• Cell volume: 6417.46 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No