Information card for entry 2006733

Structure parameters

• Chemical name: trans-myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester
• Formula: C24 H44 N2 O5
• Calculated formula: C24 H44 N2 O5
• SMILES: O=C1[C@@H](C[C@H](CN1)OC(=O)CCCCCCCCCCCCC)NC(=O)OC(C)(C)C.O=C1[C@H](C[C@@H](CN1)OC(=O)CCCCCCCCCCCCC)NC(=O)OC(C)(C)C
• Title of publication: <i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound
• Authors of publication: Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1682 - 1685
• a: 6.6176 ± 0.0009 Å
• b: 8.38 ± 0.0005 Å
• c: 47.742 ± 0.0005 Å
• α: 89.99 ± 0.02°
• β: 90.497 ± 0.01°
• γ: 90.02 ± 0.03°
• Cell volume: 2647.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1298
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1764
• Weighted residual factors for significantly intense reflections: 0.1366
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No