Information card for entry 7122458

Structure parameters

• Formula: C295 H52 Br4 N8 S6
• Calculated formula: C295 H52 Br4 N8 S6
• Title of publication: Solvent-promoted catalyst-free regioselective N-incorporation multicomponent domino reaction: rapid assembly of π-functionalized [60]fullerene-fused dihydrocarbolines.
• Authors of publication: Liu, Tong-Xin; Yue, Shuaishuai; Wei, Changgeng; Ma, Nana; Zhang, Pengling; Liu, Qingfeng; Zhang, Guisheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 95
• Pages of publication: 13331 - 13334
• a: 14.3499 ± 0.0003 Å
• b: 16.3659 ± 0.0003 Å
• c: 18.7206 ± 0.0003 Å
• α: 112.433 ± 0.002°
• β: 94.237 ± 0.002°
• γ: 102.687 ± 0.002°
• Cell volume: 3903.5 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No