Information card for entry 1543009

Structure parameters

• Formula: C17 H16 Br N O2
• Calculated formula: C17 H16 Br N O2
• SMILES: Brc1cc2[nH]c3c(c2cc1)[C@@H]1[C@](OC)(CC3)C=CC(=O)C1
• Title of publication: Enantioselective Construction of Functionalized Tetrahydrocarbazoles Enabled by Asymmetric Relay Catalysis of Gold Complex and Chiral Brønsted Acid.
• Authors of publication: Zhao, Feng; Li, Nan; Zhu, Yi-Fan; Han, Zhi-Yong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1506 - 1509
• a: 10.1594 ± 0.0006 Å
• b: 11.9897 ± 0.0005 Å
• c: 12.8474 ± 0.0008 Å
• α: 90°
• β: 107.684 ± 0.007°
• γ: 90°
• Cell volume: 1490.97 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0992
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No