Information card for entry 4022356

Structure parameters

• Formula: C45 H57 Cl3 O8 S4
• Calculated formula: C45 H47.1 Cl2.1 O8 S4
• Title of publication: Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes
• Authors of publication: Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 2324 - 2333
• a: 15.7107 ± 0.0006 Å
• b: 21.663 ± 0.002 Å
• c: 15.285 ± 0.001 Å
• α: 90°
• β: 102.772 ± 0.0006°
• γ: 90°
• Cell volume: 5073.4 ± 0.6 ų
• Cell temperature: 230.2 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 significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No