Information card for entry 4033891

Structure parameters

• Formula: C29 H26 N2 O3 S
• Calculated formula: C29 H26 N2 O3 S
• SMILES: S(=O)(=O)(n1c([C@H](Nc2ccc(OC)cc2)c2ccccc2)cc2c1cccc2)c1ccc(cc1)C
• Title of publication: Enantioselective A³-Coupling Reaction Employing Chiral Cu^I- ⁱPrpyboxdiPh/ N-Boc-(l)-Proline Complex under Cooperative Catalysis: Application in the Synthesis of (Indol-2-yl)methanamines.
• Authors of publication: Dhanasekaran, Sivasankaran; Kannaujiya, Vinod K.; Biswas, Rayhan G.; Singh, Vinod K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3275 - 3292
• a: 5.582 ± 0.0002 Å
• b: 10.6694 ± 0.0003 Å
• c: 40.2605 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397.78 ± 0.12 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: 0.0856
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No