Information card for entry 2222361

Structure parameters

• Common name: (-)-<i>N</i>,<i>N</i>'-bis[(<i>S</i>)-1-Methoxycarbonyl-2-Phenylethyl]- 2,6-Pyridinedicarboxamide
• Chemical name: (-)-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonylimino)]dipropanoate
• Formula: C27 H27 N3 O6
• Calculated formula: C27 H27 N3 O6
• SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N[C@H](C(=O)OC)Cc1ccccc1
• Title of publication: ({-})-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonylimino)]dipropanoate
• Authors of publication: Yin, Shaohong; Cui, Yu; Xia, Guangming; Zhang, Yanju; Sun, Guoxin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1713
• a: 9.1549 ± 0.0011 Å
• b: 9.9319 ± 0.0012 Å
• c: 27.83 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2530.5 ± 1.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0684
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes