Information card for entry 1504027

Structure parameters

• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: O1[C@@H](C=C(C[C@@]21c1ccccc1N(C2=O)C)C)C
• Title of publication: Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.
• Authors of publication: Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3362 - 3365
• a: 7.8567 ± 0.0004 Å
• b: 11.2624 ± 0.0006 Å
• c: 14.7834 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1308.11 ± 0.13 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: 0.0498
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No