Information card for entry 7230475

Structure parameters

• Chemical name: bisANBODIPY-CN
• Formula: C106.64 H105.32 B2 Cl2.66 F4 N9.34
• Calculated formula: C106.64 H105.32 B2 Cl2.66 F4 N9.34
• 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: 9.7204 ± 0.0003 Å
• b: 12.3536 ± 0.0004 Å
• c: 20.3225 ± 0.0006 Å
• α: 79.87 ± 0.006°
• β: 85.941 ± 0.006°
• γ: 74.901 ± 0.005°
• Cell volume: 2318.59 ± 0.14 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: 0.1052
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No