Information card for entry 1504032

Structure parameters

• Formula: C15 H16 Br N O2
• Calculated formula: C15 H16 Br N O2
• SMILES: Brc1c2[C@@]3(OCCC=C[C@H]3C)C(=O)N(c2ccc1)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: 9.0322 ± 0.0004 Å
• b: 10.4795 ± 0.0007 Å
• c: 29.1191 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2756.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No