Information card for entry 1504029

Structure parameters

• Formula: C29 H25 Br F N O3
• Calculated formula: C29 H25 Br F N O3
• SMILES: Brc1c2[C@@]3(O[C@@H](CC4=CCC[C@@H]34)COc3ccccc3)C(=O)N(c2ccc1)Cc1ccc(F)cc1
• 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: 10.6456 ± 0.0005 Å
• b: 8.2771 ± 0.0003 Å
• c: 13.6743 ± 0.0006 Å
• α: 90°
• β: 96.302 ± 0.002°
• γ: 90°
• Cell volume: 1197.63 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No