Information card for entry 1519652

Structure parameters

• Formula: C47 H59 N O5
• Calculated formula: C47 H59 N O5
• Title of publication: Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.
• Authors of publication: Slavík, Petr; Eigner, Václav; Lhoták, Pavel
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2788 - 2791
• a: 18.4589 ± 0.0002 Å
• b: 58.006 ± 0.0009 Å
• c: 11.59672 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12416.9 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8818
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No