Information card for entry 4122493

Structure parameters

• Formula: C35 H20
• Calculated formula: C35 H21
• SMILES: [C]1(c2ccc3ccccc3c2c2c1ccc1ccccc21)c1c2ccccc2cc2c1cccc2
• 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: 14.719 ± 0.002 Å
• b: 13.335 ± 0.002 Å
• c: 13.137 ± 0.002 Å
• α: 90°
• β: 118.001 ± 0.003°
• γ: 90°
• Cell volume: 2276.7 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No