Information card for entry 2222314

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-hydroxy-<i>N</i>-[(1<i>S</i>*,2<i>R</i>*)- 2-(1-naphthyl)cyclopent-3-en-1-yl]carbamate
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: O=C(N([C@H]1CC=C[C@@H]1c1cccc2c1cccc2)O)OC(C)(C)C.O=C(N([C@@H]1CC=C[C@H]1c1cccc2c1cccc2)O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-hydroxy-<i>N</i>-[(1<i>S</i>*,2<i>R</i>*)-2-(1-naphthyl)cyclopent-3-en-1-yl]carbamate
• Authors of publication: Lough, Alan J.; Machin, Ben P.; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1481
• a: 8.471 ± 0.0005 Å
• b: 8.488 ± 0.0004 Å
• c: 26.1836 ± 0.0012 Å
• α: 95.98 ± 0.003°
• β: 95.419 ± 0.002°
• γ: 111.96 ± 0.002°
• Cell volume: 1718.3 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes