Information card for entry 2202573

Structure parameters

• Chemical name: N-(2-naphthyloxymethylcarbonyl)pyrrolidine
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: O(c1cc2ccccc2cc1)CC(=O)N1CCCC1
• Title of publication: <i>N</i>-(2-Naphthyloxymethylcarbonyl)pyrrolidine
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1334 - o1335
• a: 10.6427 ± 0.0002 Å
• b: 8.8035 ± 0.0002 Å
• c: 14.4306 ± 0.0002 Å
• α: 90°
• β: 110.974 ± 0.0011°
• γ: 90°
• Cell volume: 1262.47 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes