Information card for entry 1517499

Structure parameters

• Formula: C17 H14 Br N O3
• Calculated formula: C17 H14 Br N O3
• SMILES: Br[C@@H]([C@@]1(c2c(cccc2)N(C1=O)C)O)C(=O)c1ccccc1
• Title of publication: Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.
• Authors of publication: Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4244 - 4247
• a: 8.637 ± 0.0003 Å
• b: 9.6961 ± 0.0004 Å
• c: 18.1885 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.2 ± 0.11 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 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: 0.0675
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No