Information card for entry 2012109

Structure parameters

• Chemical name: N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate
• Formula: C22 H28 N4 O5 S
• Calculated formula: C20 H22 N4 O4
• SMILES: O=C(N[C@H](C(=O)N)Cc1ccccc1)C(=O)N[C@H](C(=O)N)Cc1ccccc1
• Title of publication: Intermolecular contacts in the crystal packing of 2,2'-(<i>N</i>,<i>N</i>'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate
• Authors of publication: Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 865 - 867
• a: 5.183 ± 0.0005 Å
• b: 15.22 ± 0.003 Å
• c: 29.63 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2337.4 ± 0.9 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes