Information card for entry 2012151

Structure parameters

• Formula: C40 H48 O8
• Calculated formula: C40 H48 O8
• SMILES: COc1c2COCc3cc(C)cc(c3OC)COCc3cc(cc(COCc4c(c(COCc1cc(c2)C)cc(C)c4)OC)c3OC)C
• Title of publication: Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes
• Authors of publication: Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 978 - 981
• a: 10.6466 ± 0.0005 Å
• b: 11.0343 ± 0.0007 Å
• c: 15.1801 ± 0.0007 Å
• α: 90°
• β: 105.842 ± 0.003°
• γ: 90°
• Cell volume: 1715.59 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes