Information card for entry 1517500

Structure parameters

• Formula: C17 H12 Br N O3
• Calculated formula: C17 H12 Br N O3
• SMILES: Brc1ccc(cc1)C(=O)[C@H]1[C@]2(C(=O)N(c3c2cccc3)C)O1
• 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: 7.1926 ± 0.0004 Å
• b: 8.6657 ± 0.0003 Å
• c: 12.0477 ± 0.0005 Å
• α: 90°
• β: 97.974 ± 0.005°
• γ: 90°
• Cell volume: 743.66 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No