Information card for entry 7127246

Structure parameters

• Formula: C43 H53 N O6
• Calculated formula: C43 H53 N 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: 13.1917 ± 0.0004 Å
• b: 16.8403 ± 0.0005 Å
• c: 18.4369 ± 0.0005 Å
• α: 90°
• β: 106.313 ± 0.0012°
• γ: 90°
• Cell volume: 3930.9 ± 0.2 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.1711
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3955
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No