Information card for entry 7242424

Structure parameters

• Formula: C90.45 H133.36 Li6 O14.77
• Calculated formula: C80 H110 Li6 O14
• 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: 13.35 ± 0.008 Å
• b: 13.868 ± 0.009 Å
• c: 14.564 ± 0.009 Å
• α: 114.022 ± 0.007°
• β: 95.245 ± 0.006°
• γ: 111.486 ± 0.006°
• Cell volume: 2198 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No