Information card for entry 7135567

Structure parameters

• Formula: C69 H8 Br N S2
• Calculated formula: C69 H8 Br N S2
• Title of publication: Mechanochemical applications of magnesium nitride to fullerene chemistry: synthesis of pyrroline-fused tetra-functionalized [60]fullerene derivatives.
• Authors of publication: Chen, Jun-Shen; Qiu, Wen-Jie; Guo, Li-Feng; Wang, Guan-Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 22
• Pages of publication: 6114 - 6117
• a: 10.0033 ± 0.0004 Å
• b: 12.9511 ± 0.0004 Å
• c: 16.0243 ± 0.0005 Å
• α: 97.87 ± 0.003°
• β: 91.414 ± 0.003°
• γ: 109.58 ± 0.003°
• Cell volume: 1931.99 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No