Information card for entry 7157064

Structure parameters

• Formula: C9 H12 F7 N3 O
• Calculated formula: C9 H12 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: 11.7613 ± 0.001 Å
• b: 7.26 ± 0.0004 Å
• c: 15.9064 ± 0.0013 Å
• α: 90°
• β: 101.506 ± 0.004°
• γ: 90°
• Cell volume: 1330.91 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.58 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3689
• Weighted residual factors for all reflections included in the refinement: 0.4095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.566
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No