Information card for entry 8100637

Structure parameters

• Formula: C16 H21 N O4
• Calculated formula: C16 H21 N O4
• SMILES: O1N([C@H]2C[C@@H]1[C@@H](O)[C@@H]1OC(O[C@H]21)(C)C)Cc1ccccc1
• Title of publication: Crystal structure of (1S,2R,3S,4S,5R)-7-benzyl-2,3-O-isopropylidene- 6-oxa-7-aza-bicyclo[3.2.1]octan-2,3,4-triol, C~16~H~21~NO~4~
• Authors of publication: Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 283 - 284
• a: 21.1727 ± 0.0008 Å
• b: 5.5793 ± 0.0003 Å
• c: 12.8757 ± 0.0006 Å
• α: 90°
• β: 93.32 ± 0.004°
• γ: 90°
• Cell volume: 1518.44 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No