Information card for entry 8100929

Structure parameters

• Common name: 10,11-didehydro-quincoridine
• Formula: C10 H15 N O
• Calculated formula: C10 H15 N O
• SMILES: OC[C@@H]1N2C[C@@H]([C@H](C1)CC2)C#C
• Title of publication: Crystal structure of (1S,2R,4S,5S)-5-ethynyl-2-hydroxymethyl-1-azabicyclo [2.2.2]octane, (HC~2~)(HOCH~2~)(C~7~H~11~N)
• Authors of publication: Wartchow, R.; Frackenpohl, J.; Hoffmann, H. M. R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 7.702 ± 0.001 Å
• b: 9.844 ± 0.001 Å
• c: 12.706 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 963.3 ± 0.2 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