Information card for entry 2103261

Structure parameters

• Chemical name: (R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide
• Formula: C23 H21 N3 O6
• Calculated formula: C23 H21 N3 O6
• SMILES: c1cccnc1.NC(=O)[C@@H]([C@H](C(=O)N)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: 27.898 ± 0.006 Å
• b: 5.145 ± 0.001 Å
• c: 15.648 ± 0.003 Å
• α: 90°
• β: 93.49 ± 0.03°
• γ: 90°
• Cell volume: 2241.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No