Information card for entry 7122857

Structure parameters

• Formula: C30 H38 Br4 I4 N8 O2
• Calculated formula: C30 H38 Br4 I4 N8 O2
• Title of publication: Aryl-platform-based tetrapodal 2-iodo-imidazolium as an excellent halogen bond receptor in aqueous medium
• Authors of publication: Chakraborty, Sourav; Maji, Siddhartha; Ghosh, Rajib; Jana, Rajkumar; Datta, Ayan; Ghosh, Pradyut
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9875 ± 0.0018 Å
• b: 9.862 ± 0.002 Å
• c: 14.041 ± 0.003 Å
• α: 88.713 ± 0.005°
• β: 75.026 ± 0.004°
• γ: 73.585 ± 0.005°
• Cell volume: 1023.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No