Information card for entry 1568295

Structure parameters

• Formula: C20 H16 Cl4 N P
• Calculated formula: C20 H16 Cl4 N P
• SMILES: P(c1cc(Cl)cc(Cl)c1)(c1ccc(N(C)C)cc1)c1cc(Cl)cc(Cl)c1
• 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: 9.4252 ± 0.0005 Å
• b: 10.4766 ± 0.0006 Å
• c: 10.6229 ± 0.0006 Å
• α: 91.285 ± 0.002°
• β: 107.443 ± 0.002°
• γ: 93.782 ± 0.002°
• Cell volume: 997.55 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No