Information card for entry 4038328

Structure parameters

• Formula: C19.5 H20 I2 N2 O2
• Calculated formula: C19.5 H20 I2 N2 O2
• Title of publication: The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-Aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction. Access to Privileged Chemical Structures and Scope and Limitations of the Method.
• Authors of publication: Bell, Abbegail C.; Boomsma, Alex B.; Flikweert, Niecia E.; Hohlman, Robert M.; Zhang, Shiyuan; Blankespoor, Ronald L.; Biros, Shannon M.; Staples, Richard J.; Brickner, Steven J.; Barbachyn, Michael Robert
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 16.4039 ± 0.0016 Å
• b: 7.632 ± 0.0008 Å
• c: 32.433 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4060.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No