Information card for entry 1545279

Structure parameters

• Formula: C24 H29 N3
• Calculated formula: C24 H29 N3
• SMILES: N1=C(C(=C(NC(C)(C)C)C1=NC(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.
• Authors of publication: Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1172 - 1175
• a: 10.2983 ± 0.0009 Å
• b: 10.3586 ± 0.0009 Å
• c: 10.9392 ± 0.001 Å
• α: 89.722 ± 0.007°
• β: 67.73 ± 0.008°
• γ: 85.303 ± 0.007°
• Cell volume: 1075.84 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No