Information card for entry 1568291

Structure parameters

• Formula: C20 H18 Cl2 N P
• Calculated formula: C20 H18 Cl2 N 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: 9.69861 ± 0.00012 Å
• b: 9.76722 ± 0.00015 Å
• c: 20.1618 ± 0.0003 Å
• α: 90°
• β: 98.7984 ± 0.0012°
• γ: 90°
• Cell volume: 1887.42 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No