Information card for entry 2244241

Structure parameters

• Chemical name: <i>tert</i>-Butyl 3,6-diiodocarbazole-9-carboxylate
• Formula: C17 H15 I2 N O2
• Calculated formula: C17 H15 I2 N O2
• Title of publication: Crystal structure of <i>tert</i>-butyl 3,6-di-iodo-carbazole-9-carboxyl-ate.
• Authors of publication: Sielaff, Elizabeth N.; Staples, Richard J.; Biros, Shannon M.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 345 - 348
• a: 6.9611 ± 0.0003 Å
• b: 11.9737 ± 0.0005 Å
• c: 12.0697 ± 0.0004 Å
• α: 65.618 ± 0.004°
• β: 78.588 ± 0.003°
• γ: 74.826 ± 0.004°
• Cell volume: 879.72 ± 0.07 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 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: 0.0391
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes