Information card for entry 7204381

Structure parameters

• Formula: C34 H24 Cl4 O9 S
• Calculated formula: C34 H22 Cl4 O9 S
• Title of publication: Carbohydrate-derived thiols as protic polarity-reversal catalysts for enantioselective radical-chain reactions
• Authors of publication: Cai, Yudong; Roberts, Brian P.; Tocher, Derek A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1376
• a: 14.412 ± 0.003 Å
• b: 9.096 ± 0.002 Å
• c: 14.908 ± 0.003 Å
• α: 90°
• β: 117.43 ± 0.03°
• γ: 90°
• Cell volume: 1734.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.1232
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No