Information card for entry 4515538

Structure parameters

• Formula: C25 H20 Br N O2
• Calculated formula: C25 H20 Br N O2
• SMILES: Brc1ccc(cc1)CN1C[C@@H](c2c1cccc2)C1=C(C(=O)OC1)c1ccccc1
• Title of publication: Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles
• Authors of publication: Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9543
• a: 13.288 Å
• b: 5.6 Å
• c: 14.983 Å
• α: 90°
• β: 114.29°
• γ: 90°
• Cell volume: 1016.23 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No