Information card for entry 7133811

Structure parameters

• Formula: C24 H22 Cl N5 O2
• Calculated formula: C24 H22 Cl N5 O2
• Title of publication: Modulating the photolysis of aryl azides in a supramolecular host to develop photoactivatable fluorophores.
• Authors of publication: Qiu, Xujun; Pohl, Eric; Jung, André; Cai, Qianyu; 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: 12856 - 12859
• a: 16.3613 ± 0.0004 Å
• b: 6.8967 ± 0.0001 Å
• c: 19.5442 ± 0.0005 Å
• α: 90°
• β: 103.785 ± 0.002°
• γ: 90°
• Cell volume: 2141.83 ± 0.08 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: 0.0612
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No