Information card for entry 7101798

Structure parameters

• Formula: C21 H21 I N2 O4
• Calculated formula: C21 H21 I N2 O4
• SMILES: C1(=[N]([I]N2C(=O)CCC2(=O))CCc2cc(c(cc12)OC)OC)c1ccccc1
• Title of publication: Reaction of imines with N-iodosuccinimide (NIS): unexpected formation of stable 1 : 1 complexes.
• Authors of publication: Castellote, Isabel; Morón, María; Burgos, Carolina; Alvarez-Builla, Julio; Martin, Avelino; Gómez-Sal, Pilar; Vaquero, Juan J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 12
• Pages of publication: 1281 - 1283
• a: 8.959 ± 0.0002 Å
• b: 12.0504 ± 0.0004 Å
• c: 19.2674 ± 0.0011 Å
• α: 90°
• β: 96.661 ± 0.004°
• γ: 90°
• Cell volume: 2066.06 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No