Information card for entry 7134716

Structure parameters

• Formula: C14 H22 I6 In2 N2 O4
• Calculated formula: C14 H22 I6 In2 N2 O4
• Title of publication: Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.
• Authors of publication: He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 57
• Pages of publication: 10582 - 10585
• a: 8.2731 ± 0.0004 Å
• b: 11.0036 ± 0.0006 Å
• c: 17.2172 ± 0.0009 Å
• α: 104.905 ± 0.002°
• β: 90.308 ± 0.002°
• γ: 94.684 ± 0.002°
• Cell volume: 1508.99 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No