Information card for entry 7242422

Structure parameters

• Formula: C60 H90 Li2 O10
• Calculated formula: C60 H88 Li2 O10
• 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: 11.763 ± 0.014 Å
• b: 36.82 ± 0.04 Å
• c: 13.119 ± 0.016 Å
• α: 90°
• β: 96.406 ± 0.011°
• γ: 90°
• Cell volume: 5647 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.4003
• Weighted residual factors for all reflections included in the refinement: 0.4514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No