Information card for entry 2011898

Structure parameters

• Chemical name: 3,3'-Selenobis(propionic acid)
• Formula: C6 H10 O4 Se
• Calculated formula: C6 H10 O4 Se
• SMILES: C(C(=O)O)C[Se]CCC(=O)O
• Title of publication: 3,3'-Selenobis(propionic acid)
• Authors of publication: Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 439 - 440
• a: 8.5981 ± 0.0003 Å
• b: 5.1355 ± 0.0002 Å
• c: 18.2159 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 804.33 ± 0.05 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes