Information card for entry 2237538

Structure parameters

• Chemical name: 4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione
• Formula: C26 H28 N2 O3
• Calculated formula: C26 H28 N2 O3
• SMILES: N1(C(=O)C(=C(O)CC1)C1=CC(=O)N(CC1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
• Title of publication: 4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione
• Authors of publication: Romero, Nancy; Gnecco, Dino; Terán, Joel; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o408 - o409
• a: 9.6647 ± 0.0013 Å
• b: 9.7281 ± 0.001 Å
• c: 23.684 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.7 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes