Information card for entry 4020332

Structure parameters

• Formula: C21 H23 F3 N2 O6 S
• Calculated formula: C21 H23 F3 N2 O6 S
• SMILES: S(=O)(=O)(N[C@H](C(=O)NC[C@](O)(C(=O)OC)C(F)(F)F)Cc1ccccc1)c1ccc(cc1)C
• Authors of publication: Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez Osés; Jesús M. Peregrina
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5721 - 5724
• a: 5.415 ± 0.0002 Å
• b: 13.688 ± 0.0005 Å
• c: 16.849 ± 0.0007 Å
• α: 65.87 ± 0.0015°
• β: 83.086 ± 0.0015°
• γ: 81.892 ± 0.0018°
• Cell volume: 1125.62 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No