Information card for entry 1576506

Structure parameters

• Formula: C72 H47 N O2
• Calculated formula: C72 H47 N O2
• 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
• a: 10.3442 ± 0.0003 Å
• b: 17.7628 ± 0.0006 Å
• c: 37.0847 ± 0.001 Å
• α: 90°
• β: 91.107 ± 0.003°
• γ: 90°
• Cell volume: 6812.7 ± 0.4 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.2966
• Weighted residual factors for all reflections included in the refinement: 0.3587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No