Information card for entry 4025713

Structure parameters

• Formula: C26 H24 Cl N O2
• Calculated formula: C26 H24 Cl N O2
• Title of publication: Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins
• Authors of publication: Devendra J. Vyas; Roland Fröhlich; Martin Oestreich
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6720 - 6723
• a: 8.6136 ± 0.0006 Å
• b: 9.3565 ± 0.0004 Å
• c: 14.3087 ± 0.0013 Å
• α: 97.222 ± 0.004°
• β: 103.333 ± 0.006°
• γ: 103.505 ± 0.003°
• Cell volume: 1071.24 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No