Information card for entry 7020984

Structure parameters

• Common name: Compound 2
• Formula: C34 H32 Li2 O9
• Calculated formula: C34 H32 Li2 O9
• Title of publication: New structural motifs in lithium and zinc calix[4]arene chemistry.
• Authors of publication: Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 1983 - 1986
• a: 10.3639 ± 0.0007 Å
• b: 11.7721 ± 0.0005 Å
• c: 11.8355 ± 0.0008 Å
• α: 87.429 ± 0.004°
• β: 78.483 ± 0.003°
• γ: 83.793 ± 0.004°
• Cell volume: 1406.22 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1406
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No