Information card for entry 1543828

Structure parameters

• Formula: C26 H22 N2 O2
• Calculated formula: C26 H22 N2 O2
• SMILES: O=C1c2c([C@H](c3c4c(n(c3)C)cccc4)[C@H]1C(=O)N(C)c1ccccc1)cccc2.O=C1c2c([C@@H](c3c4c(n(c3)C)cccc4)[C@@H]1C(=O)N(C)c1ccccc1)cccc2
• Title of publication: Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles.
• Authors of publication: Zhang, Jianbo; Han, Xiuling; Lu, Xiyan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2898 - 2901
• a: 19.3078 ± 0.0013 Å
• b: 10.3786 ± 0.0007 Å
• c: 20.7335 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4154.7 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1065
• 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