Information card for entry 7125162

Structure parameters

• Formula: C72 H88 K4 N4 O2
• Calculated formula: C72 H88 K4 N4 O2
• Title of publication: Revealing the remarkable structural diversity of the alkali metal transfer agents of the trans-calix[2]benzene[2]pyrrolide ligand.
• Authors of publication: Fuentes, M Ángeles; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Mulvey, Robert E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 82
• Pages of publication: 12199 - 12201
• a: 10.4694 ± 0.0002 Å
• b: 16.0165 ± 0.0004 Å
• c: 20.7659 ± 0.0006 Å
• α: 109.148 ± 0.003°
• β: 102.765 ± 0.002°
• γ: 92.213 ± 0.002°
• Cell volume: 3184.74 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0548
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No