Information card for entry 2014570

Structure parameters

• Formula: C12 H24 N2 O4
• Calculated formula: C12 H24 N2 O4
• SMILES: C(=O)(C(=O)N[C@H](CO)C(C)C)N[C@H](CO)C(C)C.C(=O)(C(=O)N[C@@H](CO)C(C)C)N[C@@H](CO)C(C)C
• Title of publication: The twinned crystal structure of <i>rac</i>-(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-oxalyldivalinol
• Authors of publication: Štefanić, Zoran; Meden, Anton; Lutz, Martin; Schreurs, Antoine M.M.; Kojić-Prodić, Biserka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o754 - o756
• a: 5.0475 ± 0.0009 Å
• b: 10.0957 ± 0.0009 Å
• c: 13.735 ± 0.003 Å
• α: 88.674 ± 0.012°
• β: 83.414 ± 0.019°
• γ: 85.922 ± 0.01°
• Cell volume: 693.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes