Information card for entry 2011503

Structure parameters

• Chemical name: Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine -3,5-dicarboxylate
• Formula: C28 H38 N4 O6
• Calculated formula: C28 H38 N4 O6
• SMILES: O=N(=O)c1cc(C2C(=C(NC(=C2C(=O)OC)CN2CCCCC2)CN2CCCCC2)C(=O)OCC)ccc1
• Title of publication: Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate
• Authors of publication: Duque, Julio; Novoa de Armas, Héctor; Pomés Hernández, Ramón; Suárez Navarro, Margarita; Ochoa Rodríguez, Estael; Salfrán, Esperanza; Verdecia Reyes, Yamila; Blaton, Norbert. M; Peeters, Oswald M.; De Ranter, Camiel J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1346 - 1347
• a: 8.9714 ± 0.0006 Å
• b: 11.7112 ± 0.0011 Å
• c: 26.718 ± 0.002 Å
• α: 90°
• β: 97.271 ± 0.005°
• γ: 90°
• Cell volume: 2784.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections: 1.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No