Information card for entry 7129806

Structure parameters

• Formula: C34 H27 N
• Calculated formula: C34 H27 N
• Title of publication: Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines
• Authors of publication: Li, Mingfeng; Chia, Xiu Li; Zhu, Ye
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.0794 ± 0.0005 Å
• b: 10.3203 ± 0.0005 Å
• c: 13.2104 ± 0.0007 Å
• α: 111.683 ± 0.002°
• β: 96.696 ± 0.002°
• γ: 106.04 ± 0.002°
• Cell volume: 1189.87 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No