Information card for entry 2004610

Structure parameters

• Formula: C7 H13 Cl2 N3 O2
• Calculated formula: C10.5 H19.5 Cl3 N4.5 O3
• Title of publication: <small>L</small>-Histidine Methyl Ester Dihydrochloride
• Authors of publication: Vilchiz, V. H.; Norman, R. E.; Chang, S.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 696 - 698
• a: 8.215 ± 0.002 Å
• b: 7.105 ± 0.003 Å
• c: 9.512 ± 0.002 Å
• α: 90°
• β: 94.54 ± 0.01°
• γ: 90°
• Cell volume: 553.5 ± 0.3 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0344
• Goodness-of-fit parameter for significantly intense reflections: 1.872
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No