Information card for entry 4515537

Structure parameters

• Formula: C25 H20 Cl N O2
• Calculated formula: C25 H20 Cl N O2
• SMILES: Clc1ccc([C@@H]2N(c3c([C@H]2C2=C(C(=O)OC2)c2ccccc2)cccc3)C)cc1
• 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: 6.1285 ± 0.0001 Å
• b: 10.8042 ± 0.0002 Å
• c: 30.5592 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.43 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.96 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: 0.0267
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No