Information card for entry 2102846

Structure parameters

• Common name: L-ornithine Hydrochloride
• Formula: C5 H13 Cl N2 O2
• Calculated formula: C5 H13 Cl N2 O2
• SMILES: O=C([C@H](CCC[NH3+])[NH3+])[O-].[Cl-]
• Title of publication: Redetermination, invariom-model and multipole refinement of <small>L</small>-ornithine hydrochloride
• Authors of publication: Dittrich, B.; Munshi, P.; Spackman, M. A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 505 - 509
• a: 9.948 ± 0.0002 Å
• b: 7.9637 ± 0.0002 Å
• c: 4.9826 ± 0.0001 Å
• α: 90°
• β: 83.13 ± 0.01°
• γ: 90°
• Cell volume: 391.902 ± 0.017 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for all reflections included in the refinement: 0.0089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7983
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes