Information card for entry 7127248

Structure parameters

• Formula: C41 H47 N O5
• Calculated formula: C41.0015 H47.0035 N O5
• 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: 9.4753 ± 0.0003 Å
• b: 19.0877 ± 0.0005 Å
• c: 39.5036 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7144.7 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1564
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9219
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No