Information card for entry 2013510

Structure parameters

• Chemical name: 3-Methyl-N-(2-naphthyloxymethylcarbonyl)piperidine
• Formula: C18 H21 N O2
• Calculated formula: C18 H21 N O2
• SMILES: CC1CCCN(C1)C(=O)COc1ccc2c(c1)cccc2
• Title of publication: 2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o422 - o425
• a: 20.9438 ± 0.0004 Å
• b: 20.9438 ± 0.0004 Å
• c: 13.9169 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6104.55 ± 0.19 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes