Information card for entry 7155944

Structure parameters

• Formula: C40 H37 N
• Calculated formula: C40 H37 N
• Title of publication: Photochemical and oxidative cyclisation of tetraphenylpyrroles
• Authors of publication: Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.8521 ± 0.0003 Å
• b: 10.1991 ± 0.0004 Å
• c: 16.8567 ± 0.0006 Å
• α: 99.88 ± 0.003°
• β: 95.857 ± 0.003°
• γ: 116.117 ± 0.003°
• Cell volume: 1467.8 ± 0.1 ų
• Cell temperature: 290.81 ± 0.1 K
• Ambient diffraction temperature: 290.81 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No