Information card for entry 7133812

Structure parameters

• Formula: C24 H25 Cl N5 O2.5
• Calculated formula: C24 H25 Cl N5 O2.5
• 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: 9.5693 ± 0.0002 Å
• b: 10.1473 ± 0.0002 Å
• c: 24.8566 ± 0.0006 Å
• α: 101.497 ± 0.002°
• β: 93.876 ± 0.002°
• γ: 103.476 ± 0.002°
• Cell volume: 2283.56 ± 0.09 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2283
• 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