Information card for entry 7023141

Structure parameters

• Formula: C34 H34 B2 Cl6 F4 N4
• Calculated formula: C34 H34 B2 Cl6 F4 N4
• SMILES: [B]1(F)(F)[n]2c(C)c(c3ccc(cc3)c3c(C)n4[B](F)(F)[n]5c(C)cc(C)c5=Cc4c3C)c(C)c2=Cc2n1c(C)cc2C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Assembled structures of dipyrrins and their oligomers bridged by dioxy-boron moieties.
• Authors of publication: Maeda, Hiromitsu; Nishimura, Yuki; Hiroto, Satoru; Shinokubo, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 15885 - 15888
• a: 6.9862 ± 0.0002 Å
• b: 11.3882 ± 0.0003 Å
• c: 12.566 ± 0.0004 Å
• α: 70.378 ± 0.0018°
• β: 73.462 ± 0.002°
• γ: 86.088 ± 0.002°
• Cell volume: 902.33 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No