Information card for entry 2005442

Structure parameters

• Chemical name: Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)
• Formula: C20 H26 Cl2 N2 O5
• Calculated formula: C20 H26 Cl2 N2 O5
• Title of publication: Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate
• Authors of publication: Castellari, C.; Ottani, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2619 - 2622
• a: 10.589 ± 0.003 Å
• b: 9.396 ± 0.002 Å
• c: 21.132 ± 0.005 Å
• α: 90 ± 0.02°
• β: 93.24 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2099.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1955
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0698
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes