Information card for entry 7154247

Structure parameters

• Formula: C30 H40.5 N2.5 O4.5 S
• Calculated formula: C30 H40.5 N2.5 O4.5 S
• SMILES: S(=O)(=O)(N1[C@@H](COC1(C)C)C=N(=O)c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C.S(=O)(=O)(N1[C@@H](COC1(C)C)C=N(=O)c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C.O=Nc1ccccc1
• Title of publication: An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.
• Authors of publication: Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1807 - 1817
• a: 14.1867 ± 0.0012 Å
• b: 12.1288 ± 0.001 Å
• c: 34.654 ± 0.003 Å
• α: 90 ± 0.004°
• β: 92.316 ± 0.004°
• γ: 90 ± 0.004°
• Cell volume: 5958 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No