Information card for entry 2211142

Structure parameters

• Chemical name: Tris[2-(4-hydroxybenzoyloxy)ethyl]ammonium chloride
• Formula: C27 H28 Cl N O9
• Calculated formula: C27 H28 Cl N O9
• SMILES: C(COC(=O)c1ccc(cc1)O)[NH+](CCOC(=O)c1ccc(cc1)O)CCOC(=O)c1ccc(cc1)O.[Cl-]
• Title of publication: Tris[2-(4-hydroxybenzoyloxy)ethyl]ammonium chloride
• Authors of publication: Zhang, Zhong; Li, Yi-Zhi; Wu, Li-Zhen; Feng, Xi-Mei; Wang, Zhi-Lin
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2823 - m2825
• a: 11.963 ± 0.002 Å
• b: 15.857 ± 0.003 Å
• c: 14.939 ± 0.002 Å
• α: 90°
• β: 113.603 ± 0.003°
• γ: 90°
• Cell volume: 2596.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No