Information card for entry 4038737

Structure parameters

• Formula: C30 H17 F6 N
• Calculated formula: C30 H17 F6 N
• Title of publication: Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.
• Authors of publication: Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 27.2097 ± 0.001 Å
• b: 4.6842 ± 0.0001 Å
• c: 18.3065 ± 0.0007 Å
• α: 90°
• β: 105.415 ± 0.001°
• γ: 90°
• Cell volume: 2249.33 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No