Information card for entry 4508402

Structure parameters

• Formula: C25 H30 Cl N O3
• Calculated formula: C25 H30 Cl N O3
• Title of publication: Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder
• Authors of publication: Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5193
• a: 10.9483 ± 0.0003 Å
• b: 10.9241 ± 0.0003 Å
• c: 18.0149 ± 0.0005 Å
• α: 90°
• β: 100.685 ± 0.003°
• γ: 90°
• Cell volume: 2117.23 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.068
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No