Information card for entry 1568294

Structure parameters

• Formula: C18 H9 Cl6 P
• Calculated formula: C18 H9 Cl6 P
• Title of publication: Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.
• Authors of publication: Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1871 - 1877
• a: 4.8136 ± 0.0003 Å
• b: 12.6603 ± 0.0004 Å
• c: 15.5459 ± 0.0003 Å
• α: 98.197 ± 0.002°
• β: 91.021 ± 0.003°
• γ: 94.611 ± 0.004°
• Cell volume: 934.27 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0797
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No