Information card for entry 2220132

Structure parameters

• Common name: Dopaminium perchlorate
• Chemical name: 2-(3,4-dihydroxyphenyl)ethanaminium perchlorate
• Formula: C8 H12 Cl N O6
• Calculated formula: C8 H12 Cl N O6
• SMILES: Cl(=O)(=O)(=O)[O-].c1(cc(O)c(O)cc1)CC[NH3+]
• Title of publication: Dopaminium perchlorate
• Authors of publication: Boghaei, Davar M.; Baniyaghoob, Sahar; Najafpour, Mohammad Mahdi; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2268
• a: 7.4925 ± 0.0003 Å
• b: 8.2254 ± 0.0003 Å
• c: 8.9524 ± 0.0004 Å
• α: 106.91 ± 0.001°
• β: 94.186 ± 0.001°
• γ: 101.206 ± 0.001°
• Cell volume: 512.85 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes