Information card for entry 7112953

Structure parameters

• Formula: C35.5 H39 Cl O7
• Calculated formula: C35.5 H39 Cl O7
• SMILES: c1(c2cc(cc1Cc1cc(cc(Cc3cc(cc([C@@H](c4cc(cc(C2)c4OC)C)OC)c3O)OC)c1OC)C)OC)O.ClCCl
• Title of publication: The synthesis of optically active calix[4]arenes with one or three substituents on the methylene bridges.
• Authors of publication: Gopalsamuthiram, Vijay; Huang, Rui; Wulff, William D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8213 - 8215
• a: 11.19 ± 0.002 Å
• b: 11.396 ± 0.002 Å
• c: 14.071 ± 0.003 Å
• α: 108.8 ± 0.03°
• β: 96.93 ± 0.03°
• γ: 107.54 ± 0.03°
• Cell volume: 1571.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No