Information card for entry 1568828

Structure parameters

• Formula: C18 H15 N O
• Calculated formula: C18 H15 N O
• 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: 13.3846 ± 0.0008 Å
• b: 6.8793 ± 0.0004 Å
• c: 14.7878 ± 0.0008 Å
• α: 90°
• β: 103.033 ± 0.003°
• γ: 90°
• Cell volume: 1326.54 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No