Information card for entry 7133967

Structure parameters

• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• Title of publication: Positional effects of electron-donating and withdrawing groups on the photophysical properties of single benzene fluorophores.
• Authors of publication: Kim, Dopil; Kim, Jun Yeong; Kim, Haein; Jeong, Eunjin; Lee, Minhyuk; Kim, Dongwook; Kim, JunWoo; Park, Myung Hwan; Kim, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 100
• Pages of publication: 14956 - 14959
• a: 8.831 ± 0.006 Å
• b: 9.067 ± 0.006 Å
• c: 13.811 ± 0.009 Å
• α: 73.42 ± 0.02°
• β: 81.83 ± 0.02°
• γ: 86.68 ± 0.02°
• Cell volume: 1048.9 ± 1.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No