Information card for entry 7249329

Structure parameters

• Formula: C16 H24 F4 I2 O7
• Calculated formula: C16 H24 F4 I2 O7
• Title of publication: The C−I···O halogen bonding in crown ether chemistry
• Authors of publication: Wang, Weizhou; Ji, Baoming
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.481 ± 0.0005 Å
• b: 22.1452 ± 0.0019 Å
• c: 14.686 ± 0.0011 Å
• α: 90°
• β: 103.285 ± 0.007°
• γ: 90°
• Cell volume: 2367.9 ± 0.3 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: 0.0865
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No