Information card for entry 7133805

Structure parameters

• Formula: C30 H24 F6 N2 O4
• Calculated formula: C30 H24 F6 N2 O4
• Title of publication: A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril.
• Authors of publication: Qiu, Xujun; Cai, Qianyu; Pohl, Eric; Jung, André; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 88
• Pages of publication: 12852 - 12855
• a: 10.4972 ± 0.0003 Å
• b: 20.641 ± 0.0005 Å
• c: 12.7749 ± 0.0004 Å
• α: 90°
• β: 106.847 ± 0.002°
• γ: 90°
• Cell volume: 2649.18 ± 0.13 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0804
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No