Information card for entry 7123770

Structure parameters

• Formula: C48 H44 Cl4 F6 N2 O2 Sb
• Calculated formula: C48 H44 Cl4 F6 N2 O2 Sb
• 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: 8.3753 ± 0.0006 Å
• b: 11.1259 ± 0.0009 Å
• c: 12.194 ± 0.0009 Å
• α: 87.379 ± 0.003°
• β: 86.613 ± 0.003°
• γ: 76.612 ± 0.003°
• Cell volume: 1102.86 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No