Information card for entry 7155302

Structure parameters

• Formula: C39.5 H52 Cl4 O15.5
• Calculated formula: C38 H45.5 Cl4 O15.3
• 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: 11.519 ± 0.0003 Å
• b: 12.8094 ± 0.0005 Å
• c: 15.5844 ± 0.0004 Å
• α: 79.044 ± 0.003°
• β: 77.462 ± 0.002°
• γ: 71.732 ± 0.003°
• Cell volume: 2112.99 ± 0.12 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: 0.1377
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No