Information card for entry 2202897

Structure parameters

• Chemical name: N-(2-Hydroxynaphthylmethyl)-(L)-proline Methyl Ester
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: O(C(=O)[C@@H]1N(CCC1)Cc1c2ccccc2ccc1O)C
• Title of publication: <i>N</i>-(2-Hydroxynaphthylmethyl)-(<i>S</i>)-proline methyl ester
• Authors of publication: Zheng, Peng-Wu; Li, Chun-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1621 - o1623
• a: 9.427 ± 0.006 Å
• b: 11.692 ± 0.007 Å
• c: 13.501 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1488.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes