Information card for entry 4131598

Structure parameters

• Formula: C44 H35 N1.5
• Calculated formula: C44 H35 N1.5
• Title of publication: Fluorenyl Based Macrocyclic Polyradicaloids.
• Authors of publication: Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 37
• Pages of publication: 13173 - 13183
• a: 21.096 ± 0.006 Å
• b: 36.965 ± 0.01 Å
• c: 44.576 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34761 ± 17 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No