Information card for entry 1508762

Structure parameters

• Formula: C24 H24 N2 O6
• Calculated formula: C24 H24 N2 O6
• SMILES: O(C(=O)[C@@]1(c2c(N(C1=O)C)cccc2)[C@@]1(C(=O)OCC)c2c(N(C)C1=O)cccc2)CC.O(C(=O)[C@]1(c2c(N(C1=O)C)cccc2)[C@]1(C(=O)OCC)c2c(N(C)C1=O)cccc2)CC
• Title of publication: Intramolecular Dehydrogenative Coupling of sp(2) C-H and sp(3) C-H Bonds: An Expeditious Route to 2-Oxindoles.
• Authors of publication: Ghosh, Santanu; De, Subhadip; Kakde, Badrinath N.; Bhunia, Subhajit; Adhikary, Amit; Bisai, Alakesh
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5864 - 5867
• a: 8.2477 ± 0.0009 Å
• b: 15.824 ± 0.002 Å
• c: 16.2391 ± 0.0017 Å
• α: 90°
• β: 94.938 ± 0.005°
• γ: 90°
• Cell volume: 2111.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No