Information card for entry 1563860

Structure parameters

• Formula: C30 H20 Br2
• Calculated formula: C30 H20 Br2
• 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: 11.8475 ± 0.0008 Å
• b: 7.3631 ± 0.0004 Å
• c: 12.899 ± 0.0008 Å
• α: 90°
• β: 101.211 ± 0.003°
• γ: 90°
• Cell volume: 1103.76 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No