Information card for entry 2104272

Structure parameters

• Formula: C6 H16 Cl2 N2 O3
• Calculated formula: C6 H16 Cl2 N2 O3
• SMILES: C(=O)([C@H](CC[C@H](C[NH3+])O)[NH3+])O.[Cl-].[Cl-]
• Title of publication: Improvement of anisotropic displacement parameters from invariom-model refinements for three <small>L</small>-hydroxylysine structures
• Authors of publication: Dittrich, B.; McKinnon, J. J.; Warren, J. E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 750 - 759
• a: 8.6224 ± 0.0002 Å
• b: 7.0489 ± 0.0002 Å
• c: 9.8061 ± 0.0002 Å
• α: 90°
• β: 106.486 ± 0.002°
• γ: 90°
• Cell volume: 571.5 ± 0.02 ų
• Cell 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: 0.0385
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections included in the refinement: 0.0181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes