Information card for entry 1504084

Structure parameters

• Formula: C17 H24 N2 O4
• Calculated formula: C17 H24 N2 O4
• SMILES: N1(C(OC[C@H]1C=N(=O)c1ccccc1)(C)C)C(=O)OC(C)(C)C
• Title of publication: An asymmetric hetero-claisen approach to 3-alkyl-3-aryloxindoles.
• Authors of publication: Duguet, Nicolas; Slawin, Alexandra M. Z.; Smith, Andrew D.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3858 - 3861
• a: 23.342 ± 0.004 Å
• b: 5.7712 ± 0.0009 Å
• c: 17.317 ± 0.003 Å
• α: 90°
• β: 130.887 ± 0.005°
• γ: 90°
• Cell volume: 1763.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No