Information card for entry 7711150

Structure parameters

• Formula: C27 H24 I3 N3 O6
• Calculated formula: C27 H24 I3 N3 O6
• SMILES: [I](OC(=O)c1cc(cc(c1)C(=O)O[I][n]1ccc(cc1)C)C(=O)O[I][n]1ccc(cc1)C)[n]1ccc(cc1)C
• Title of publication: Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates
• Authors of publication: Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.6502 ± 0.0004 Å
• b: 9.9201 ± 0.0002 Å
• c: 19.5464 ± 0.0005 Å
• α: 90°
• β: 109.522 ± 0.003°
• γ: 90°
• Cell volume: 2860.16 ± 0.13 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No