Information card for entry 1508842

Structure parameters

• Formula: C17 H14 Br N O
• Calculated formula: C17 H14 Br N O
• SMILES: Brc1ccc([C@@H]2[C@]3(c4ccccc4N(C3=O)C)C2)cc1
• Title of publication: A Highly Diastereo- and Enantioselective Hg(II)-Catalyzed Cyclopropanation of Diazooxindoles and Alkenes.
• Authors of publication: Cao, Zhong-Yan; Zhou, Feng; Yu, Yi-Hua; Zhou, Jian
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 42 - 45
• a: 6.1191 ± 0.0016 Å
• b: 12.656 ± 0.003 Å
• c: 18.088 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1400.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No