Information card for entry 7109805

Structure parameters

• Formula: C61 H40 B2 Cl9 F4 N3
• Calculated formula: C61 H40 B2 Cl9 F4 N3
• Title of publication: Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)
• Authors of publication: Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8955
• a: 18.9212 ± 0.0003 Å
• b: 21.265 ± 0.0003 Å
• c: 13.7069 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5515.1 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No