Information card for entry 7116922

Structure parameters

• Chemical name: BCBP-radical
• Formula: C57 H46 Cl15 O
• Calculated formula: C57 H46 Cl15 O
• Title of publication: 9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals
• Authors of publication: Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6734
• a: 13.966 ± 0.0003 Å
• b: 19.591 ± 0.0004 Å
• c: 21.6636 ± 0.0004 Å
• α: 90°
• β: 109.308 ± 0.001°
• γ: 90°
• Cell volume: 5593.9 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No