Information card for entry 7159953

Structure parameters

• Formula: C H I N O S
• Calculated formula: C3.5 H2.875 I0.25 N0.125 O0.625 S0.125
• Title of publication: Gold(I)-catalysed cyclisation of (<i>E</i>)-ketene-<i>N</i>,<i>O</i>-acetals: a synthetic route toward spiro-oxazole-γ-lactones.
• Authors of publication: Kanikarapu, Suresh; Prasad, Rangu; Sethi, Manoj; Sahoo, Akhila K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 4672 - 4679
• a: 12.24 ± 0.0003 Å
• b: 9.634 ± 0.0003 Å
• c: 24.0129 ± 0.0005 Å
• α: 90°
• β: 92 ± 0.002°
• γ: 90°
• Cell volume: 2829.88 ± 0.13 ų
• Cell temperature: 297.82 ± 0.1 K
• Ambient diffraction temperature: 297.82 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No