Information card for entry 1504028

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: O1[C@@H](CC=C(C[C@@]21c1ccccc1N(C2=O)C)C)COc1ccccc1
• 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: 8.361 ± 0.0004 Å
• b: 8.6154 ± 0.0003 Å
• c: 12.8252 ± 0.0005 Å
• α: 90°
• β: 97.499 ± 0.002°
• γ: 90°
• Cell volume: 915.94 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No