Information card for entry 7109466

Structure parameters

• Formula: C33 H33.96 Cl2 O8 S8
• Calculated formula: C33.005 H33.96 Cl2 O8 S8
• Title of publication: Synthesis and structural exploration of disulfide bridged [2n] pillararene-like molecules
• Authors of publication: Mahendra P. Sonawane; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6310
• a: 12.2168 ± 0.0004 Å
• b: 14.4704 ± 0.0005 Å
• c: 23.0473 ± 0.0009 Å
• α: 74.053 ± 0.003°
• β: 77.801 ± 0.003°
• γ: 86.239 ± 0.003°
• Cell volume: 3829 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No