Information card for entry 7121755

Structure parameters

• Chemical name: (3,3-diiodo-3-nitropropyl)benzene
• Formula: C9 H9 I2 N O2
• Calculated formula: C9 H9 I2 N O2
• Title of publication: Autoinductive conversion of α,α-diiodonitroalkanes to amides and esters catalysed by iodine byproducts under O₂.
• Authors of publication: Li, Jing; Lear, Martin J.; Hayashi, Yujiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6360 - 6363
• a: 12.08 Å
• b: 11.704 Å
• c: 16.182 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.88 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No