Information card for entry 2019913

Structure parameters

• Chemical name: Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate
• Formula: C24 H28 N2 O6
• Calculated formula: C24 H28 N2 O6
• SMILES: [C@]1(c2ccccc2N(C1=O)C)([C@](c1ccccc1)(C(=O)OC)OC)NC(=O)OC(C)(C)C.[C@@]1(c2ccccc2N(C1=O)C)([C@@](c1ccccc1)(C(=O)OC)OC)NC(=O)OC(C)(C)C
• Title of publication: Four oxoindole-linked α-alkoxy-β-amino acid derivatives
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 322 - 329
• a: 16.703 ± 0.0013 Å
• b: 8.0515 ± 0.0006 Å
• c: 17.0919 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes