Information card for entry 2103260

Structure parameters

• Chemical name: (R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N'-dimethyldiamide
• Formula: C20 H20 N2 O6
• Calculated formula: C20 H20 N2 O6
• SMILES: CNC(=O)[C@@H]([C@H](C(=O)NC)OC(=O)c1ccccc1)OC(=O)c1ccccc1
• Title of publication: Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide
• Authors of publication: Rychlewska, Urszula; Warżajtis, Beata
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 265 - 271
• a: 10.282 ± 0.002 Å
• b: 18.024 ± 0.004 Å
• c: 5.136 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 951.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No