Information card for entry 4135216

Structure parameters

• Formula: C97 H96 F12 N2 O5 P2
• Calculated formula: C97 H96 F12 N2 O5 P2
• 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: 21.8 ± 0.009 Å
• b: 18.632 ± 0.008 Å
• c: 20.532 ± 0.008 Å
• α: 90°
• β: 102.05 ± 0.05°
• γ: 90°
• Cell volume: 8156 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3169
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No