Information card for entry 7130231

Structure parameters

• Formula: C10 H5 F6 N2 P
• Calculated formula: C10 H5 F6 N2 P
• Title of publication: A New Access to Diazaphospholes via Cycloaddition-Cycloreversion Reactions on Triazaphospholes
• Authors of publication: Dettling, Lea; Papke, Martin; Sklorz, Julian; Buzsaki, Daniel; Kelemen, Zsolt; Weber, Manuela; Nyulaszi, Laszlo; Muller, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.5247 ± 0.0005 Å
• b: 12.9354 ± 0.0009 Å
• c: 22.6658 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2206.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No