Information card for entry 2004266

Structure parameters

• Chemical name: The Muscarinic Antagonist, 8,8-Dimethyl-3',3'-Diphenyl-spiro[8- azoniabicyclo[3.2.1]octane-3,2'-[1,3]-dioxolane]-4'-one iodide (BVT44Me).
• Formula: C23 H26 I N O3
• Calculated formula: C23 H26 I N O3
• Title of publication: Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide
• Authors of publication: Frydenvang, K.; Castiglione, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2644 - 2647
• a: 14.615 ± 0.003 Å
• b: 14.625 ± 0.003 Å
• c: 10.33 ± 0.002 Å
• α: 90°
• β: 107.67 ± 0.02°
• γ: 90°
• Cell volume: 2103.8 ± 0.8 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.0811
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes