Information card for entry 7127487

Structure parameters

• Formula: C53.5 H34 B0.5 Cl F2 O2
• Calculated formula: C53.5 H34 B0.5 Cl F2 O2
• Title of publication: Switchable cascade C-H annulation to polycyclic pyryliums and pyridiniums: discovering mitochondria-targeting fluorescent probes.
• Authors of publication: Chen, Xingyu; Yan, Lipeng; Liu, Yanhong; Yang, Yudong; You, Jingsong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 95
• Pages of publication: 15080 - 15083
• a: 19.1081 ± 0.0004 Å
• b: 19.1081 ± 0.0004 Å
• c: 24.3996 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8908.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No