Information card for entry 2201216

Structure parameters

• Chemical name: meso-1,2-(2-Hydroxyphenyl)-1,2-ethylenediammonium dichloride
• Formula: C14 H18 Cl2 N2 O2
• Calculated formula: C14 H18 Cl2 N2 O2
• SMILES: c1(c(cccc1)O)[C@@H]([NH3+])[C@H](c1c(cccc1)O)[NH3+].[Cl-].[Cl-]
• Title of publication: <i>meso</i>-1,2-(2-Hydroxyphenyl)-1,2-ethylenediammonium dichloride
• Authors of publication: Bryant, Craig; Chin, Jik; Lough, Alan J.; Alhakimi, Gamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o456 - o457
• a: 21.8715 ± 0.0007 Å
• b: 21.8715 ± 0.0007 Å
• c: 7.8297 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3243.64 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes