Information card for entry 7227270

Structure parameters

• Formula: C30 H24 F8 I4 N6 O3 S
• Calculated formula: C30 H24 F8 I4 N6 O3 S
• Title of publication: Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes
• Authors of publication: Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 484
• a: 4.5773 ± 0.0003 Å
• b: 36.882 ± 0.003 Å
• c: 21.7673 ± 0.0014 Å
• α: 90°
• β: 91.029 ± 0.002°
• γ: 90°
• Cell volume: 3674.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No