Information card for entry 7242421

Structure parameters

• Formula: C60 H85 Li5 O18 S4
• Calculated formula: C56 H77 Li5 O17 S4
• Title of publication: Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters
• Authors of publication: Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 11304 - 11317
• a: 13.306 ± 0.002 Å
• b: 13.306 ± 0.002 Å
• c: 19.079 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3377.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No