Information card for entry 7242426

Structure parameters

• Formula: C134 H198 Li5 Na O35.28 S8
• Calculated formula: C124 H178 Li5 Na O32.78 S8
• 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: 38.167 ± 0.003 Å
• b: 20.3517 ± 0.0014 Å
• c: 18.4867 ± 0.0013 Å
• α: 90°
• β: 99.9979 ± 0.0005°
• γ: 90°
• Cell volume: 14141.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No