Information card for entry 7157329

Structure parameters

• Formula: C19 H32 Na O8 S
• Calculated formula: C19 H32 Na O8 S
• Title of publication: First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry.
• Authors of publication: Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1091 - 1094
• a: 4.8228 ± 0.0004 Å
• b: 15.0261 ± 0.0016 Å
• c: 15.5936 ± 0.0015 Å
• α: 88.598 ± 0.008°
• β: 88.036 ± 0.006°
• γ: 82.569 ± 0.007°
• Cell volume: 1119.66 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1298
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.299
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No