Information card for entry 1569758

Structure parameters

• Formula: C25 H22 Cl N O4
• Calculated formula: C25 H22 Cl N O4
• Title of publication: Photocyclization by a triplet-triplet annihilation upconversion pair in water - avoiding UV-light and oxygen removal.
• Authors of publication: Jeyaseelan, R.; Utikal, M.; Daniliuc, C. G.; Næsborg, L
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 40
• Pages of publication: 11040 - 11044
• a: 12.4061 ± 0.0004 Å
• b: 15.0978 ± 0.0005 Å
• c: 11.6059 ± 0.0003 Å
• α: 90°
• β: 106.806 ± 0.001°
• γ: 90°
• Cell volume: 2080.99 ± 0.11 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: single crystal
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No