Information card for entry 7056209

Structure parameters

• Formula: C16 H19 I4 N2 O4
• Calculated formula: C16 H19 I4 N2 O4
• Title of publication: N-(4-hydroxyphenyl)acetamide against di-iodine towards polyiodide dianion
• Authors of publication: Hadjikakou, Sotiris K.; Banti, C. N.; Kourkoumelis, Nikolaos; Raptopoulou, Catherine; Psycharis, Vassilis
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 14.1757 ± 0.0006 Å
• b: 9.6136 ± 0.0003 Å
• c: 17.0845 ± 0.0006 Å
• α: 90°
• β: 97.777 ± 0.002°
• γ: 90°
• Cell volume: 2306.85 ± 0.15 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No