Information card for entry 7157065

Structure parameters

• Formula: C7 H8 F7 N3 O
• Calculated formula: C7 H8 F7 N3 O
• Title of publication: Photo- and dioxygen-enabled radical C(sp³)-N(sp²) cross-coupling between guanidines and perfluoroalkyl iodides.
• Authors of publication: Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 38
• Pages of publication: 8695 - 8700
• a: 10.986 ± 0.018 Å
• b: 9.949 ± 0.016 Å
• c: 10.414 ± 0.017 Å
• α: 90°
• β: 98.87 ± 0.02°
• γ: 90°
• Cell volume: 1125 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No