Information card for entry 1576504

Structure parameters

• Formula: C72 H54 Cl4 N2 O2
• Calculated formula: C72 H54 Cl4 N2 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
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 6677 - 6687
• a: 68.988 ± 0.004 Å
• b: 16.9569 ± 0.001 Å
• c: 10.6338 ± 0.0011 Å
• α: 90°
• β: 93.366 ± 0.006°
• γ: 90°
• Cell volume: 12418.2 ± 1.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2396
• Residual factor for significantly intense reflections: 0.2189
• Weighted residual factors for significantly intense reflections: 0.5321
• Weighted residual factors for all reflections included in the refinement: 0.565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No