Information card for entry 2101431

Structure parameters

• Formula: C6 H15 I N2 O2
• Calculated formula: C6 H15 I N2 O2
• Title of publication: Conformational analysis of acetylcholine and related choline esters
• Authors of publication: Frydenvang, K.; Jensen, B.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 184 - 193
• a: 5.919 ± 0.002 Å
• b: 12.573 ± 0.004 Å
• c: 13.643 ± 0.002 Å
• α: 90°
• β: 96.46 ± 0.02°
• γ: 90°
• Cell volume: 1008.9 ± 0.5 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No