Information card for entry 2230104

Structure parameters

• Chemical name: 2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
• Formula: C25 H23 N3 O2
• Calculated formula: C25 H23 N3 O2
• SMILES: C1[C@H](Cc2ccccc2)N=C(c2cccc(C3=N[C@H](CO3)Cc3ccccc3)n2)O1
• Title of publication: 2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
• Authors of publication: Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1181
• a: 7.0184 ± 0.0002 Å
• b: 13.2654 ± 0.0003 Å
• c: 21.5542 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006.74 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes