Information card for entry 1576321

Structure parameters

• Formula: C39 H44 F6 P2
• Calculated formula: C39 H44 F6 P2
• Title of publication: Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.
• Authors of publication: Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 21991 - 22001
• a: 38.743 ± 0.013 Å
• b: 18.182 ± 0.006 Å
• c: 9.838 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6930 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.1356
• Weighted residual factors for significantly intense reflections: 0.2914
• Weighted residual factors for all reflections included in the refinement: 0.314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No