Information card for entry 7156572

Structure parameters

• Formula: C3.83 H3.3 F1.04 I0.17 N0.35 O0.35
• Calculated formula: C3.82609 H3.30435 F1.04348 I0.173913 N0.347826 O0.347826
• 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: 10.7013 ± 0.001 Å
• b: 10.572 ± 0.0009 Å
• c: 19.8575 ± 0.0018 Å
• α: 90°
• β: 103.499 ± 0.003°
• γ: 90°
• Cell volume: 2184.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1559
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3365
• Weighted residual factors for all reflections included in the refinement: 0.3637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No