Information card for entry 7152748

Structure parameters

• Formula: C26 H33 Cl2 N O6
• Calculated formula: C26 H33 Cl1.98 N O6
• Title of publication: A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.
• Authors of publication: Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 47
• Pages of publication: 9325 - 9329
• a: 10.609 ± 0.0003 Å
• b: 15.8952 ± 0.0004 Å
• c: 16.3523 ± 0.0004 Å
• α: 93.865 ± 0.001°
• β: 100.226 ± 0.001°
• γ: 90.915 ± 0.001°
• Cell volume: 2706.45 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No