Information card for entry 4020306

Structure parameters

• Formula: C28 H32 N2 O6 S
• Calculated formula: C28 H32 N2 O6 S
• SMILES: S(=O)(=O)([C@@H]1N=CO[C@]21[C@@H]1Oc3c(OC)ccc4C[C@H]5N(CC[C@@]1(c34)[C@@]5(OC)CC2)C)c1ccc(cc1)C
• Authors of publication: Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5323 - 5326
• a: 8.849 ± 0.0002 Å
• b: 7.7644 ± 0.0003 Å
• c: 18.7321 ± 0.0007 Å
• α: 90°
• β: 103.497 ± 0.002°
• γ: 90°
• Cell volume: 1251.48 ± 0.07 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No