Information card for entry 7154248

Structure parameters

• Formula: C25 H25 N O2
• Calculated formula: C25 H25 N O2
• SMILES: O1C(=O)[C@]([C@]2([C@]1(/N=C/c1ccccc1)C(=CC=C2)C)C)(c1ccccc1)CC.O1C(=O)[C@@]([C@@]2([C@@]1(/N=C/c1ccccc1)C(=CC=C2)C)C)(c1ccccc1)CC
• 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: 27.834 ± 0.01 Å
• b: 8.119 ± 0.003 Å
• c: 8.839 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1997.5 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No