Information card for entry 7156571

Structure parameters

• Formula: C H F N O
• Calculated formula: C2.2 H1.9 F0.7 N0.2 O0.5
• Title of publication: Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.
• Authors of publication: Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 8950 - 8954
• a: 12.992 ± 0.0004 Å
• b: 9.8081 ± 0.0003 Å
• c: 18.9141 ± 0.0006 Å
• α: 90°
• β: 97.2446 ± 0.0014°
• γ: 90°
• Cell volume: 2390.92 ± 0.13 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 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: 0.1494
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for significantly intense reflections: 0.4216
• Weighted residual factors for all reflections included in the refinement: 0.43
• Goodness-of-fit parameter for all reflections included in the refinement: 3.804
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No