Information card for entry 2013511

Structure parameters

• Chemical name: 4-(2-Naphthyloxymethylcarbonyl)morpholine
• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O(c1cc2ccccc2cc1)CC(=O)N1CCOCC1
• Title of publication: 2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Gupta, P.; 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: o467 - o469
• a: 10.5594 ± 0.0002 Å
• b: 9.2956 ± 0.0002 Å
• c: 14.1012 ± 0.0003 Å
• α: 90°
• β: 109.092 ± 0.0009°
• γ: 90°
• Cell volume: 1307.99 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes