Information card for entry 7052423

Structure parameters

• Formula: C200 H307.1 N16 O65.55 S32
• Calculated formula: C200 H307.104 N16 O65.552 S32
• Title of publication: Multiple ionic interactions for noncovalent synthesis of molecular capsules in polar solvents
• Authors of publication: Corbellini, Francesca; van Leeuwen, Fijs W. B.; Beijleveld, Hans; Kooijman, Huub; Spek, Anthony L.; Verboom, Willem; Crego-Calama, Mercedes; Reinhoudt, David N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 243
• a: 18.061 ± 0.002 Å
• b: 20.378 ± 0.002 Å
• c: 25.193 ± 0.004 Å
• α: 69.128 ± 0.015°
• β: 69.681 ± 0.015°
• γ: 69.84 ± 0.018°
• Cell volume: 7862 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1427
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2518
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No