Information card for entry 7133804

Structure parameters

• Formula: C26 H25 Cl N4 O
• Calculated formula: C26 H25 Cl N4 O
• 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: 7.6248 ± 0.0002 Å
• b: 10.9476 ± 0.0002 Å
• c: 26.8702 ± 0.0007 Å
• α: 90°
• β: 90.753 ± 0.002°
• γ: 90°
• Cell volume: 2242.75 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No