Information card for entry 4034236

Structure parameters

• Formula: C57 H57 F18 N8 P3
• Calculated formula: C57 H57 F18 N8 P3
• Title of publication: Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.
• Authors of publication: Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4221 - 4228
• a: 14.654 ± 0.0013 Å
• b: 14.654 ± 0.0013 Å
• c: 17.5993 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3272.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.3357
• Residual factor for significantly intense reflections: 0.2496
• Weighted residual factors for significantly intense reflections: 0.6483
• Weighted residual factors for all reflections included in the refinement: 0.7363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No