Information card for entry 2012428

Structure parameters

• Formula: C34 H32 O8
• Calculated formula: C34 H32 O8
• SMILES: C1c2cccc(c2O)Cc2cccc(c2OCC(=O)OC)Cc2cccc(c2O)Cc2cccc1c2OCC(=O)OC
• Title of publication: 2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate
• Authors of publication: Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o29 - o31
• a: 32.84 ± 0.005 Å
• b: 32.84 ± 0.005 Å
• c: 13.918 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12999 ± 4 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes