Information card for entry 7133944

Structure parameters

• Formula: C240 H232 Cl16 N8 O8
• Calculated formula: C240 H232 Cl16 N8 O8
• Title of publication: Dual molecular tweezers extending from a nanohoop.
• Authors of publication: Mirzaei, M. Saeed; Mirzaei, Saber; Espinoza Castro, Victor M.; Lawrence, Charlotte; Hernández Sánchez, Raúl
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 96
• Pages of publication: 14236 - 14239
• a: 14.7048 ± 0.0004 Å
• b: 23.2163 ± 0.0008 Å
• c: 32.0917 ± 0.0009 Å
• α: 81.364 ± 0.003°
• β: 79.536 ± 0.002°
• γ: 89.251 ± 0.002°
• Cell volume: 10650.3 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3942
• Residual factor for significantly intense reflections: 0.2792
• Weighted residual factors for significantly intense reflections: 0.6169
• Weighted residual factors for all reflections included in the refinement: 0.6673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.879
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No