Information card for entry 4027524

Structure parameters

• Formula: C24 H17 N
• Calculated formula: C24 H17 N
• SMILES: n12c(cc3c(cccc3)c1ccc2)c1ccc(c2ccccc2)cc1
• Title of publication: Copper-Catalyzed Tandem Synthesis of Indolo-, Pyrrolo[2,1-a]isoquinolines, Naphthyridines and Bisindolo/Pyrrolo[2,1-a]isoquinolines via Hydroamination of ortho-Haloarylalkynes Followed by C-2 Arylation
• Authors of publication: Akhilesh K. Verma; Rajeev R. Jha; Ritu Chaudhary; Rakesh K. Tiwari; Kotla Siva K. Reddy; Abhinandan Danodia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8191 - 8205
• a: 9.6169 ± 0.0005 Å
• b: 12.7831 ± 0.0009 Å
• c: 13.5263 ± 0.0009 Å
• α: 90°
• β: 90.225 ± 0.002°
• γ: 90°
• Cell volume: 1662.83 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No