Information card for entry 1545694

Structure parameters

• Common name: RD-1-181
• Formula: C24 H23 N O
• Calculated formula: C24 H23 N O
• SMILES: O=C1N(c2ccccc2)C[C@@H]([C@H]1c1ccccc1)Cc1ccc(cc1)C.O=C1N(c2ccccc2)C[C@H]([C@@H]1c1ccccc1)Cc1ccc(cc1)C
• Title of publication: Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade.
• Authors of publication: Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2154 - 2157
• a: 11.5218 ± 0.0004 Å
• b: 9.9089 ± 0.0003 Å
• c: 16.3736 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1869.35 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No