Information card for entry 7213445

Structure parameters

• Common name: tetra(t-butylbenzo)-24-crown-8
• Formula: C48 H64 O8
• Calculated formula: C48 H64 O8
• SMILES: c12c(ccc(c1)C(C)(C)C)OCCOc1c(OCCOc3c(ccc(c3)C(C)(C)C)OCCOc3c(OCCO2)cc(cc3)C(C)(C)C)cc(cc1)C(C)(C)C
• Title of publication: Synthesis, structure, and extraction behavior of 4,5′,4″,5‴-tetra-tert-butyltetrabenzo-24-crown-8 †‡
• Authors of publication: Levitskaia, Tatiana G.; Sachleben, Richard A.; Bryan, Jeffrey C.; Moyer, Bruce A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 808
• a: 5.8214 ± 0.0008 Å
• b: 10.7769 ± 0.0019 Å
• c: 17.258 ± 0.003 Å
• α: 76.083 ± 0.014°
• β: 82.12 ± 0.012°
• γ: 89.6 ± 0.013°
• Cell volume: 1040.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No