Information card for entry 2216834

Structure parameters

• Chemical name: (R*)-(-)-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C32 H30 N2 O8
• Calculated formula: C32 H30 N2 O8
• SMILES: C1(=C([C@H](C(=C(C)N1)C(=O)OCC)c1cc(ccc1)N(=O)=O)C(=O)OCC(=O)c1ccc(cc1)OCc1ccccc1)C
• Title of publication: (<i>R</i>*)-({-})-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Wu, Xiao-Yun; Hu, Ai-Xi; Cao, Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4578 - o4578
• a: 7.3646 ± 0.0007 Å
• b: 8.1772 ± 0.0008 Å
• c: 13.329 ± 0.001 Å
• α: 97.905 ± 0.002°
• β: 100.352 ± 0.002°
• γ: 109.296 ± 0.002°
• Cell volume: 728.32 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes