Information card for entry 1504031

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: 8.5555 ± 0.0006 Å
• b: 7.8352 ± 0.0008 Å
• c: 9.566 ± 0.0008 Å
• α: 90°
• β: 100.67 ± 0.005°
• γ: 90°
• Cell volume: 630.16 ± 0.09 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1073
• 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