Information card for entry 1548770

Structure parameters

• Chemical name: bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical
• Formula: C17 H6 Cl7 N2
• Calculated formula: C17 H6 Cl7 N2
• SMILES: Clc1cncc(Cl)c1[C](c1c(Cl)cncc1Cl)c1c(Cl)cc(Cl)cc1Cl
• Title of publication: A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes.
• Authors of publication: Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1996 - 2007
• a: 8.7015 ± 0.0013 Å
• b: 14.84 ± 0.003 Å
• c: 14.86 ± 0.003 Å
• α: 90°
• β: 105.517 ± 0.0015°
• γ: 90°
• Cell volume: 1848.9 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No