Information card for entry 8101290

Structure parameters

• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: O([C@H]1N2C[C@@H]([C@H](CC1)CC2)C#Cc1ccc(N(=O)=O)cc1)C
• Title of publication: Crystal structure of (1S,2R,5R,6R)-2-methoxy-6-(16-nitrophenylethynyl)- 1-azabicyclo[3.2.2]nonane, C~17~H~20~N~2~O~3~
• Authors of publication: Frackenpohl, J.; Röper, S.; Hoffmann, H. M. R.; Wartchow, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 437 - 438
• a: 7.096 ± 0.001 Å
• b: 11.671 ± 0.001 Å
• c: 19.277 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1596.5 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No