Information card for entry 8100684

Structure parameters

• Formula: C17 H23 N O3 S
• Calculated formula: C17 H23 N O3 S
• SMILES: [C@@]12(CCC[C@H]1[C@]1([C@@H]2N(C)S(=O)(=O)c2ccc(cc2)C)CO1)C.[C@]12(CCC[C@@H]1[C@@]1([C@H]2N(C)S(=O)(=O)c2ccc(cc2)C)CO1)C
• Title of publication: Crystal structure of (1R*,5S*,6R*,7S*)-1-methyl-7-(methyltosylamino) spiro[bicyclo[3.2.0]heptan-6,2'-oxirane], C~17~H~23~NO~3~S
• Authors of publication: Tinant, Bernard; Mahuteau-Betzer, Florence; Ghosez, Léon
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 383 - 384
• a: 11.192 ± 0.001 Å
• b: 7.542 ± 0.001 Å
• c: 19.954 ± 0.003 Å
• α: 90°
• β: 90.53 ± 0.01°
• γ: 90°
• Cell volume: 1684.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No