Information card for entry 7130949

Structure parameters

• Formula: C29 H33 N O2
• Calculated formula: C29 H33 N O2
• SMILES: O(c1ccc(c2n3c(c(c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)c2)cccc3)cc1)C
• Title of publication: Pd(II)-catalyzed annulation of terminal alkynes with 2-pyridinyl-substituted p-quinone methides: Direct access to indolizines
• Authors of publication: Ahmad, Feroz; Ranga, Pavit K.; Pankhade, Yogesh A.; Fatma, Shaheen; Gouda, Ashrumochan; Vijaya Anand, Ramasamy
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.5189 ± 0.0004 Å
• b: 10.2586 ± 0.0004 Å
• c: 18.1361 ± 0.0007 Å
• α: 90°
• β: 97.843 ± 0.004°
• γ: 90°
• Cell volume: 2307.37 ± 0.15 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 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: 0.0955
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No