Information card for entry 7130831

Structure parameters

• Formula: C47 H21 Cl9 F14 N2 O6 P2
• Calculated formula: C47 H21 Cl9 F14 N2 O6 P2
• Title of publication: One-pot heteroannulation toward phosphaperylene diimides with high luminescence and out-of-plane anisotropy
• Authors of publication: Ma, Zetong; Liu, Yujian; Wang, Z.-H.; Jiang, Wei
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 34.0447 ± 0.0012 Å
• b: 5.7951 ± 0.0002 Å
• c: 26.8127 ± 0.001 Å
• α: 90°
• β: 94.674 ± 0.004°
• γ: 90°
• Cell volume: 5272.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No