Information card for entry 7126533

Structure parameters

• Formula: C58 H42 B2 N2 O4
• Calculated formula: C58 H42 B2 N2 O4
• Title of publication: Synthesis of fully-fused bisboron azomethine complexes and their conjugated polymers with solid-state near-infrared emission.
• Authors of publication: Ohtani, Shunsuke; Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 48
• Pages of publication: 6575 - 6578
• a: 17.8827 ± 0.0011 Å
• b: 7.8947 ± 0.0005 Å
• c: 15.7916 ± 0.001 Å
• α: 90°
• β: 96.353 ± 0.007°
• γ: 90°
• Cell volume: 2215.7 ± 0.2 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No