Information card for entry 4135219

Structure parameters

• Formula: C83.2 H84.4 Cl6.4 O4
• Calculated formula: C83.2 H84.4 Cl6.4 O4
• Title of publication: Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics.
• Authors of publication: Frydrych, Rafał; Lis, Tadeusz; Bury, Wojciech; Cybińska, Joanna; Stępień, Marcin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.394 ± 0.007 Å
• b: 24.705 ± 0.01 Å
• c: 18.366 ± 0.007 Å
• α: 90 ± 0.03°
• β: 92.58 ± 0.04°
• γ: 90 ± 0.03°
• Cell volume: 7431 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1207
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.667
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No