Information card for entry 1563863

Structure parameters

• Formula: C64.79 H63.9 Cl0.1 N0.95 O10
• Calculated formula: C64.792 H63.896 Cl0.104 N0.948 O10
• Title of publication: Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs
• Authors of publication: Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.254 ± 0.007 Å
• b: 14.439 ± 0.008 Å
• c: 15.761 ± 0.008 Å
• α: 82.961 ± 0.014°
• β: 67.977 ± 0.01°
• γ: 67.682 ± 0.011°
• Cell volume: 2586 ± 2 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: 0.1116
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No