Information card for entry 1571314

Structure parameters

• Formula: C152 H184 N6 O24
• Calculated formula: C126 H112 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: 21.54594 ± 0.00012 Å
• b: 25.73674 ± 0.00014 Å
• c: 29.44669 ± 0.00016 Å
• α: 73.2304 ± 0.0005°
• β: 71.3145 ± 0.0005°
• γ: 72.7778 ± 0.0005°
• Cell volume: 14432.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.3439
• Weighted residual factors for all reflections included in the refinement: 0.353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No