Information card for entry 8101366

Structure parameters

• Formula: C29 H36 N2 O7 S
• Calculated formula: C29 H36 N2 O7 S
• SMILES: S(=O)(=O)(N(C)[C@H]1C[C@@]23N(C1=O)[C@H]([C@@H](OC(=O)C)[C@@H](C2)[C@H](O)CC3)Cc1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Crystal structure of (1S,3S,6S,7S,8S,9R)-7-acetoxy-9-hydroxy-6-(4- methoxybenzyl)-3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo [6.3.1.0^1.5^]dodecan-4-one, C~29~H~36~N~2~O~7~S
• Authors of publication: Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 597 - 599
• a: 9.3672 ± 0.0019 Å
• b: 31.897 ± 0.006 Å
• c: 10.105 ± 0.002 Å
• α: 90°
• β: 106.43 ± 0.03°
• γ: 90°
• Cell volume: 2895.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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