Information card for entry 7238145

Structure parameters

• Formula: C24 H25 Cl2 N O3
• Calculated formula: C24 H25 Cl2 N O3
• Title of publication: Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion
• Authors of publication: Mondal, Raju; Howard, Judith A. K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3786
• a: 9.2741 ± 0.0002 Å
• b: 15.3177 ± 0.0003 Å
• c: 15.8154 ± 0.0003 Å
• α: 90°
• β: 91.025 ± 0.001°
• γ: 90°
• Cell volume: 2246.34 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0649
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No