Information card for entry 7230477

Structure parameters

• Chemical name: BCOD-bisANBODIPYtetraester
• Formula: C106 H130 B2 Cl6 F4 N4 O10
• Calculated formula: C106 H130 B2 Cl6 F4 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: 18.82 ± 0.005 Å
• b: 9.636 ± 0.003 Å
• c: 29.019 ± 0.008 Å
• α: 90°
• β: 99.313 ± 0.004°
• γ: 90°
• Cell volume: 5193 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No