Information card for entry 7127247

Structure parameters

• Formula: C41 H46 O6
• Calculated formula: C41 H46 O6
• Title of publication: Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.
• Authors of publication: Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12773 - 12776
• a: 18.1214 ± 0.0009 Å
• b: 12.6174 ± 0.0007 Å
• c: 16.0888 ± 0.0009 Å
• α: 90°
• β: 103.99 ± 0.0018°
• γ: 90°
• Cell volume: 3569.5 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1651
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No