Information card for entry 7125268

Structure parameters

• Formula: C72 H110 Cl4 N7 O10
• Calculated formula: C72 H109 Cl4 N7 O10
• Title of publication: A nano-sized container for specific encapsulation of isolated water molecules.
• Authors of publication: Lavendomme, Roy; Marcélis, Lionel; Wouters, Johan; Luhmer, Michel; Jabin, Ivan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 98
• Pages of publication: 14109 - 14112
• a: 14.6718 ± 0.0005 Å
• b: 22.9104 ± 0.0008 Å
• c: 23.5888 ± 0.0009 Å
• α: 90°
• β: 104.564 ± 0.004°
• γ: 90°
• Cell volume: 7674.3 ± 0.5 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.1167
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No