Information card for entry 7217902

Structure parameters

• Formula: C36 H35 N2 O4
• Calculated formula: C36 H35 N2 O4
• SMILES: N1(c2ccc(cc2)C)[C@H](C(=C(Nc2ccc(cc2)C)C[C@@H]1c1ccc(OC)cc1)C(=O)OCC)c1ccc(OC)cc1.N1(c2ccc(cc2)C)[C@@H](C(=C(Nc2ccc(cc2)C)C[C@H]1c1ccc(OC)cc1)C(=O)OCC)c1ccc(OC)cc1
• Title of publication: Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis
• Authors of publication: Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 78
• Pages of publication: 41314
• a: 31.102 ± 0.01 Å
• b: 6.1084 ± 0.0019 Å
• c: 21.032 ± 0.007 Å
• α: 90°
• β: 129.544 ± 0.004°
• γ: 90°
• Cell volume: 3081.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No