Information card for entry 1504030

Structure parameters

• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: O1CCC=C[C@H]([C@@]21c1ccccc1N(C2=O)C)C
• Title of publication: Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.
• Authors of publication: Zhang, Yun; Panek, James S.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3366 - 3369
• a: 7.6811 ± 0.0004 Å
• b: 8.0373 ± 0.0004 Å
• c: 20.7516 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1281.11 ± 0.12 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No