Information card for entry 1507721

Structure parameters

• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• SMILES: c12NC(=O)[C@@]3(c1cccc2)CCCc1ccccc31
• Title of publication: Asymmetric pericyclic cascade approach to spirocyclic oxindoles.
• Authors of publication: Richmond, Edward; Duguet, Nicolas; Slawin, Alexandra M. Z.; Lébl, Tomáš; Smith, Andrew D.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2762 - 2765
• a: 8.3871 ± 0.0008 Å
• b: 12.0103 ± 0.0012 Å
• c: 25.88 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No