Information card for entry 7127503

Structure parameters

• Formula: C34 H32 N2 O5
• Calculated formula: C34 H32 N2 O5
• SMILES: c1cccc2c1ccc1c(c3c(c(cc(c3)C)C)NC(=O)OC(C)(C)C)c(c(C(=O)c3ccccc3)n21)C(=O)OC
• Title of publication: Assembly of functionalized π-extended indolizine polycycles through dearomative [3+2] cycloaddition/oxidative decarbonylation.
• Authors of publication: Jin, Shaojing; Wang, Lele; Han, Huabin; Liu, Xiongli; Bu, Zhanwei; Wang, Qilin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 359 - 362
• a: 13.719 ± 0.0004 Å
• b: 13.4877 ± 0.0003 Å
• c: 16.7867 ± 0.0004 Å
• α: 90°
• β: 105.527 ± 0.002°
• γ: 90°
• Cell volume: 2992.81 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No