Information card for entry 1576507

Structure parameters

• Formula: C105 H105
• Calculated formula: C84 H56
• Title of publication: Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.
• Authors of publication: Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 6677 - 6687
• a: 18.8736 ± 0.0005 Å
• b: 31.9978 ± 0.0008 Å
• c: 14.3224 ± 0.0004 Å
• α: 90°
• β: 96.305 ± 0.003°
• γ: 90°
• Cell volume: 8597.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No