Information card for entry 7129038

Structure parameters

• Formula: C61 H83 Br4 N4 O13
• Calculated formula: C61 H83 Br4 N4 O13
• Title of publication: Facile synthesis of a <i>C</i>₄-symmetrical inherently chiral calix[4]arene.
• Authors of publication: Hodson, Luke; Visagie, Kevin J.; Smith, Michael-Phillip; Loots, Leigh; Kuter, David; Snayer, Trégen M; Arnott, Gareth E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 84
• Pages of publication: 11045 - 11048
• a: 13.982 ± 0.002 Å
• b: 23.272 ± 0.004 Å
• c: 20.029 ± 0.003 Å
• α: 90°
• β: 94.935 ± 0.003°
• γ: 90°
• Cell volume: 6493.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No