Information card for entry 7130832

Structure parameters

• Formula: C45 H20 Cl2 F14 N2 O6 P2
• Calculated formula: C45 H20 Cl2 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: 17.5562 ± 0.0011 Å
• b: 11.4446 ± 0.0005 Å
• c: 20.8876 ± 0.0013 Å
• α: 90°
• β: 97.757 ± 0.006°
• γ: 90°
• Cell volume: 4158.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.1553
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No