Information card for entry 1506162

Structure parameters

• Formula: C53 H70 O9
• Calculated formula: C53 H70 O9
• SMILES: O(c1c2cc(cc1Cc1c(OC(=O)C)c(cc(c1)C(C)(C)C)COCc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)COC2)C(C)(C)C)C(=O)C.O=C(C)C
• Title of publication: CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.
• Authors of publication: Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4405 - 4408
• a: 11.2074 ± 0.0005 Å
• b: 13.3796 ± 0.001 Å
• c: 16.7503 ± 0.0011 Å
• α: 81.543 ± 0.004°
• β: 77.386 ± 0.004°
• γ: 89.998 ± 0.004°
• Cell volume: 2423.1 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No