Information card for entry 1571315

Structure parameters

• Formula: C220 H264 N6 O21
• Calculated formula: C176 H176 N6 O10
• Title of publication: Programmable synthesis of organic cages with reduced symmetry.
• Authors of publication: Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6536 - 6543
• a: 22.249 ± 0.001 Å
• b: 42.9082 ± 0.0014 Å
• c: 23.6046 ± 0.0004 Å
• α: 90°
• β: 92.591 ± 0.003°
• γ: 90°
• Cell volume: 22511.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No