Information card for entry 7102869

Structure parameters

• Chemical name: 3,7-Bis(bithienyl)-5-(2,4,6-tri-t-butylphenyl) dibenzo[b,d]borole
• Formula: C47.5 H47.5 B Cl N0.5 S4
• Calculated formula: C47.5 H47.5 B Cl N0.5 S4
• Title of publication: Kinetically stabilized dibenzoborole as an electron-accepting building unit.
• Authors of publication: Wakamiya, Atsushi; Mishima, Kotaro; Ekawa, Kanako; Yamaguchi, Shigehiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 579 - 581
• a: 9.353 ± 0.002 Å
• b: 13.047 ± 0.002 Å
• c: 18.255 ± 0.004 Å
• α: 69.849 ± 0.006°
• β: 87.42 ± 0.008°
• γ: 81.615 ± 0.007°
• Cell volume: 2068.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No