Information card for entry 7232471

Structure parameters

• Formula: C28 H24 F6 I2 N2 O4
• Calculated formula: C28 H24 F6 I2 N2 O4
• Title of publication: Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers
• Authors of publication: Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 2626
• a: 7.727 ± 0.002 Å
• b: 11.231 ± 0.003 Å
• c: 17.977 ± 0.005 Å
• α: 73.848 ± 0.004°
• β: 79.22 ± 0.004°
• γ: 86.104 ± 0.004°
• Cell volume: 1471.8 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No