Information card for entry 2019914

Structure parameters

• Chemical name: Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate
• Formula: C25 H30 N2 O6
• Calculated formula: C25 H30 N2 O6
• SMILES: [C@]1(c2ccccc2N(C1=O)C)([C@](c1ccccc1)(C(=O)OC)OCC)NC(=O)OC(C)(C)C.[C@@]1(c2ccccc2N(C1=O)C)([C@@](c1ccccc1)(C(=O)OC)OCC)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: 11.2274 ± 0.0014 Å
• b: 13.3892 ± 0.0017 Å
• c: 16.849 ± 0.002 Å
• α: 91.475 ± 0.002°
• β: 92.646 ± 0.002°
• γ: 106.889 ± 0.002°
• Cell volume: 2419 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1187
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes