Information card for entry 7131474

Structure parameters

• Formula: C22 H23.6 I N3 O4.2
• Calculated formula: C22 H23.6 I N3 O4.2
• Title of publication: Chiral carbonyl hypoiodites.
• Authors of publication: Mattila, Milla; Rissanen, Kari; Ward, Jas S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 31
• Pages of publication: 4648 - 4651
• a: 7.8221 ± 0.0002 Å
• b: 8.3335 ± 0.0002 Å
• c: 16.8477 ± 0.0003 Å
• α: 88.532 ± 0.002°
• β: 83.279 ± 0.002°
• γ: 84.899 ± 0.002°
• Cell volume: 1086.23 ± 0.04 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No