Information card for entry 4038736

Structure parameters

• Formula: C28 H19 N
• Calculated formula: C28 H19 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: 31.461 ± 0.005 Å
• b: 32.311 ± 0.004 Å
• c: 7.4331 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7556 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No