Information card for entry 7123772

Structure parameters

• Formula: C50 H42 N2 O2
• Calculated formula: C50 H42 N2 O2
• Title of publication: Nitrogen-Doped Heptazethrene and Octazethrene Diradicaloids
• Authors of publication: Chow, Chi Hao Eugene; Han, Yi; Phan, Hoa; Wu, Jishan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.9666 ± 0.0005 Å
• b: 16.6567 ± 0.0005 Å
• c: 26.8159 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7131.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No