Information card for entry 1577158

Structure parameters

• Chemical name: DP1
• Formula: C44 H45 N
• Calculated formula: C44 H45 N
• Title of publication: Turn-on fluorescence switching and radical formation of a dual-functional negative photochromic dimethyldihydropyrene
• Authors of publication: Molla, Sariful Molla; Mahato, Samyadeb; Ray, Avinash Kumar; Bandyopadhyay, Subhajit
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.4823 ± 0.0002 Å
• b: 12.4252 ± 0.0002 Å
• c: 13.6567 ± 0.0003 Å
• α: 83.446 ± 0.002°
• β: 79.691 ± 0.002°
• γ: 73.563 ± 0.002°
• Cell volume: 1674.67 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No