Information card for entry 4135217

Structure parameters

• Formula: C90 H104.4 O8.2
• Calculated formula: C90 H104.4 O8.2
• 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: 12.027 ± 0.002 Å
• b: 16.806 ± 0.003 Å
• c: 19.642 ± 0.004 Å
• α: 72.1 ± 0.05°
• β: 84.41 ± 0.04°
• γ: 85.99 ± 0.04°
• Cell volume: 3756.7 ± 1.6 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: 0.1039
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No