Information card for entry 1576285

Structure parameters

• Chemical name: 8MeO-10CPP
• Formula: C68 H56 O8
• Calculated formula: C68 H56 O8
• Title of publication: Permanently porous cycloparaphenylene nanohoops <i>via</i> supramolecular engineering.
• Authors of publication: Kamin, Ashlyn A.; Schuster, Nathaniel J.; Xie, Haomiao; Le, Phuong H.; Snook, Kathleen M.; Krajewski, Sebastian; Kaminsky, Werner; Farha, Omar K.; Jasti, Ramesh; Xiao, Dianne J.
• Journal of publication: Chemical science
• Year of publication: 2025
• a: 11.6317 ± 0.0013 Å
• b: 15.0772 ± 0.0016 Å
• c: 19.106 ± 0.002 Å
• α: 90°
• β: 98.988 ± 0.006°
• γ: 90°
• Cell volume: 3309.5 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No