Information card for entry 1504132

Structure parameters

• Formula: C18 B2 F12 O4
• Calculated formula: C18 B2 F12 O4
• SMILES: Fc1c2C3=[O][B](F)(F)OC4=C3C3=C(O[B](F)(F)[O]=C3c3c(F)c(F)c(F)c(F)c43)c2c(F)c(F)c1F
• Title of publication: Synthesis, crystal structure, and electron-accepting property of the BF2 complex of a dihydroxydione with a perfluorotetracene skeleton.
• Authors of publication: Ono, Katsuhiko; Hashizume, Junko; Yamaguchi, Hiroyuki; Tomura, Masaaki; Nishida, Jun-ichi; Yamashita, Yoshiro
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4326 - 4329
• a: 5.998 ± 0.009 Å
• b: 14.15 ± 0.02 Å
• c: 9.877 ± 0.014 Å
• α: 90°
• β: 92.99 ± 0.03°
• γ: 90°
• Cell volume: 837 ± 2 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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 all reflections: 0.3954
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No