Information card for entry 2104273

Structure parameters

• Formula: C6 H18 Cl2 N2 O4
• Calculated formula: C6 H18 Cl2 N2 O4
• SMILES: C(=O)(O)[C@H](CC[C@H](C[NH3+])O)[NH3+].[Cl-].[Cl-].O
• 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: 5.4491 ± 0.0003 Å
• b: 7.3962 ± 0.0004 Å
• c: 8.1337 ± 0.0004 Å
• α: 79.382 ± 0.004°
• β: 73.191 ± 0.005°
• γ: 69.544 ± 0.005°
• Cell volume: 292.75 ± 0.03 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for all reflections included in the refinement: 0.0194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7268
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes