Information card for entry 4135030

Structure parameters

• Formula: C132 H102 Br2 F48 N14 P8
• Calculated formula: C132 H102 Br2 F48 N14 P8
• Title of publication: Suit[4]ane.
• Authors of publication: Liu, Wenqi; Stern, Charlotte L.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 20.5852 ± 0.0009 Å
• b: 21.9306 ± 0.0005 Å
• c: 21.2989 ± 0.0007 Å
• α: 90°
• β: 118.6 ± 0.005°
• γ: 90°
• Cell volume: 8442.1 ± 0.6 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 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: 0.1297
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.3196
• Weighted residual factors for all reflections included in the refinement: 0.3448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No