Information card for entry 1568292

Structure parameters

• Formula: C18 H12 Cl3 P
• Calculated formula: C18 H12 Cl3 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: 15.839 ± 0.0004 Å
• b: 10.3662 ± 0.0003 Å
• c: 19.8011 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3251.15 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No