Information card for entry 2240798

Structure parameters

• Common name: Seleno-<i>L</i>-cystine dihydrochloride
• Chemical name: (<i>R</i>,<i>R</i>)-1,1'-Dicarboxy-2,2'-(diselanediyl)diethanaminium dichloride
• Formula: C6 H14 Cl2 N2 O4 Se2
• Calculated formula: C6 H14 Cl2 N2 O4 Se2
• SMILES: C(=O)([C@H](C[Se][Se]C[C@@H](C(=O)O)[NH3+])[NH3+])O.[Cl-].[Cl-]
• Title of publication: Crystal structure of seleno-<small>L</small>-cystine dihydrochloride
• Authors of publication: Görbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 726 - 729
• a: 18.8045 ± 0.0016 Å
• b: 5.2529 ± 0.0004 Å
• c: 7.2719 ± 0.0006 Å
• α: 90°
• β: 102.219 ± 0.001°
• γ: 90°
• Cell volume: 702.03 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes