Information card for entry 7220554

Structure parameters

• Formula: C28 H38 Cl N O4
• Calculated formula: C28 H38 Cl N O4
• Title of publication: Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical
• Authors of publication: Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 4712
• a: 9.9394 ± 0.0006 Å
• b: 9.3964 ± 0.0008 Å
• c: 28.5819 ± 0.0017 Å
• α: 90°
• β: 98.318 ± 0.005°
• γ: 90°
• Cell volume: 2641.3 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for significantly intense reflections: 1.62
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No