Information card for entry 4022352

Structure parameters

• Formula: C69 H73 Cl3 O6 S4
• Calculated formula: C69 H72 Cl3 O6 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: 13.6278 ± 0.0007 Å
• b: 14.325 ± 0.001 Å
• c: 18.048 ± 0.001 Å
• α: 84.004 ± 0.003°
• β: 78.644 ± 0.003°
• γ: 68.0693 ± 0.0009°
• Cell volume: 3202.7 ± 0.4 ų
• Cell temperature: 223.2 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 significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 2.209
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No