Information card for entry 4122494

Structure parameters

• Formula: C37 H23 Cl6
• Calculated formula: C37 H23 Cl6
• Title of publication: Design and synthesis of new stable fluorenyl-based radicals.
• Authors of publication: Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 36
• Pages of publication: 12784 - 12793
• a: 9.5286 ± 0.0009 Å
• b: 17.5723 ± 0.0018 Å
• c: 19.0353 ± 0.0017 Å
• α: 90°
• β: 94.805 ± 0.002°
• γ: 90°
• Cell volume: 3176.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No