Information card for entry 7154665

Structure parameters

• Formula: C27 H23 N3 O2
• Calculated formula: C27 H23 N3 O2
• SMILES: O=C1N(c2c([C@@]1(c1c3c(n(c1)C)cccc3)[C@@H]1c3c(N(C1=O)C)cccc3)cccc2)C.O=C1N(c2c([C@]1(c1c3c(n(c1)C)cccc3)[C@H]1c3c(N(C1=O)C)cccc3)cccc2)C
• Title of publication: Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.
• Authors of publication: Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 43
• Pages of publication: 10641 - 10655
• a: 9.4773 ± 0.0019 Å
• b: 9.4856 ± 0.0015 Å
• c: 12.418 ± 0.003 Å
• α: 82.847 ± 0.009°
• β: 79.354 ± 0.01°
• γ: 76.208 ± 0.009°
• Cell volume: 1061.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1102
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No