Information card for entry 7154249

Structure parameters

• Formula: C21 H24 Cl N O2
• Calculated formula: C21 H24 Cl N O2
• SMILES: Clc1ccc([C@]2(N([C@@H](OC2=O)c2ccccc2)C(C)(C)C)CC)cc1.Clc1ccc([C@@]2(N([C@H](OC2=O)c2ccccc2)C(C)(C)C)CC)cc1
• 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: 10.077 ± 0.003 Å
• b: 14.486 ± 0.005 Å
• c: 12.738 ± 0.004 Å
• α: 90°
• β: 91.567 ± 0.009°
• γ: 90°
• Cell volume: 1858.7 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No