Information card for entry 7124116

Structure parameters

• Chemical name: (2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)
• Formula: C14 H26 O9
• Calculated formula: C14 H26 O9
• Title of publication: Self-templated synthesis of an orthoformate in,in-cryptand and its bridgehead inversion by dynamic covalent exchange
• Authors of publication: Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.9352 ± 0.0005 Å
• b: 8.20386 ± 0.00019 Å
• c: 14.9002 ± 0.0004 Å
• α: 90°
• β: 113.53 ± 0.004°
• γ: 90°
• Cell volume: 1673.86 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No