Information card for entry 7129004

Structure parameters

• Formula: C16 H13 F6 N5 O
• Calculated formula: C16 H13 F6 N5 O
• Title of publication: A soluble iron(II)-phthalocyanine-catalyzed intramolecular C(sp³)-H amination with alkyl azides.
• Authors of publication: You, Tingjie; Zeng, Si-Hao; Fan, Jianqiang; Wu, Liangliang; Kang, Fangyuan; Liu, Yungen; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 82
• Pages of publication: 10711 - 10714
• a: 26.094 ± 0.002 Å
• b: 6.5624 ± 0.0005 Å
• c: 9.4316 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1615.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No