Information card for entry 2019916

Structure parameters

• Chemical name: Methyl 2-[(anthracen-9-yl)methoxy]-2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-phenylacetate
• Formula: C38 H36 N2 O6
• Calculated formula: C38 H36 N2 O6
• SMILES: [C@]1(c2ccccc2N(C1=O)C)([C@](c1ccccc1)(C(=O)OC)OCc1c2ccccc2cc2ccccc12)NC(=O)OC(C)(C)C.[C@@]1(c2ccccc2N(C1=O)C)([C@@](c1ccccc1)(C(=O)OC)OCc1c2ccccc2cc2ccccc12)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: 18.2606 ± 0.0017 Å
• b: 9.8976 ± 0.0009 Å
• c: 18.5364 ± 0.0017 Å
• α: 90°
• β: 99.31 ± 0.002°
• γ: 90°
• Cell volume: 3306.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes