Information card for entry 8101071

Structure parameters

• Formula: C22 H22 O10 S2
• Calculated formula: C22 H22 O10 S2
• SMILES: S(=O)(=O)(c1ccc(cc1)C)OC[C@H](OS(=O)(=O)c1ccc(cc1)C)[C@H]1OC(=O)C2=C1OCCO2
• Title of publication: Crystal structure of 2,3-O-ethandiyl-5,6-O-ditosyl-L-ascorbic acid, C~22~H~22~O~10~S~2~
• Authors of publication: Ries, A.; Sander, J.; Hegetschweiler, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 579 - 580
• a: 10.686 ± 0.002 Å
• b: 8.357 ± 0.002 Å
• c: 12.738 ± 0.003 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 1137.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No