Information card for entry 4135218

Structure parameters

• Formula: C96.5 H96 O8.5
• Calculated formula: C96.5 H96 O8.5
• 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: 19.335 ± 0.01 Å
• b: 20.831 ± 0.011 Å
• c: 21.77 ± 0.012 Å
• α: 117.13 ± 0.05°
• β: 97.39 ± 0.05°
• γ: 90.8 ± 0.05°
• Cell volume: 7712 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2597
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.3428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No