Information card for entry 7109156

Structure parameters

• Formula: C180 H230 Cl12 N14 O44
• Calculated formula: C168 H200 N8 O32
• Title of publication: Assembly-driven synthesis of hybrid molecular capsules controlled by chiral sorting
• Authors of publication: Michal Wierzbicki; Agnieszka Szumna
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3860
• a: 17.986 ± 0.0007 Å
• b: 32.4038 ± 0.0014 Å
• c: 32.9781 ± 0.0014 Å
• α: 90°
• β: 90.406 ± 0.002°
• γ: 90°
• Cell volume: 19219.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No