Information card for entry 1547556

Structure parameters

• Formula: C26 H23 N O
• Calculated formula: C26 H23 N O
• SMILES: O=C1N(c2c(C1(c1ccccc1)C/C=C/C=C/c1ccccc1)cccc2)C
• Title of publication: Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes.
• Authors of publication: Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4710 - 4713
• a: 9.934 ± 0.002 Å
• b: 22.154 ± 0.004 Å
• c: 8.9741 ± 0.0018 Å
• α: 90°
• β: 94.349 ± 0.005°
• γ: 90°
• Cell volume: 1969.3 ± 0.7 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No