Information card for entry 7230479

Structure parameters

• Chemical name: B-bisANBODIPYtetraester_HexO
• Formula: C92 H100.75 B1.25 F2.5 N4 O10
• Calculated formula: C92 H100.75 B1.25 F2.5 N4 O10
• Title of publication: Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
• Authors of publication: Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 14072
• a: 14.448 ± 0.0004 Å
• b: 16.3453 ± 0.0004 Å
• c: 17.0276 ± 0.0004 Å
• α: 96.286 ± 0.007°
• β: 100.811 ± 0.007°
• γ: 92.31 ± 0.007°
• Cell volume: 3918.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0942
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No