Information card for entry 1545233

Structure parameters

• Formula: C26 H41 N3 O2
• Calculated formula: C26 H41 N3 O2
• SMILES: O(Cc1c(c(n(c1C(=O)NC(C)(C)C)C(C)(C)C)NC(C)(C)C)c1ccccc1)CC
• Title of publication: Palladium-Catalyzed Three-Component Reaction of Propargyl Carbonates, Isocyanides, and Alcohols or Water: Switchable Synthesis of Pyrroles and Its Bicyclic Analogues.
• Authors of publication: Qiu, Guanyinsheng; Wang, Qian; Zhu, Jieping
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 270 - 273
• a: 10.867 ± 0.002 Å
• b: 13.296 ± 0.003 Å
• c: 17.981 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2598 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No