Information card for entry 1568829

Structure parameters

• Formula: C32 H26 Cl N O6
• Calculated formula: C32 H26 Cl N O6
• Title of publication: Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.
• Authors of publication: Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5650 - 5655
• a: 15.0119 ± 0.0006 Å
• b: 9.3425 ± 0.0003 Å
• c: 19.524 ± 0.0008 Å
• α: 90°
• β: 99.233 ± 0.003°
• γ: 90°
• Cell volume: 2702.74 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No