Information card for entry 7155303

Structure parameters

• Formula: C54 H80 Cl4 O15
• Calculated formula: C49.1 H58.15 Cl4 O14.55
• Title of publication: Open-resorcinarenes, a new family of multivalent scaffolds.
• Authors of publication: Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 10161 - 10164
• a: 13.6713 ± 0.0005 Å
• b: 13.6859 ± 0.0004 Å
• c: 15.8507 ± 0.0005 Å
• α: 87.748 ± 0.003°
• β: 71.565 ± 0.003°
• γ: 84.007 ± 0.003°
• Cell volume: 2798.1 ± 0.17 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No