Information card for entry 1577157

Structure parameters

• Formula: C52.6 H56.16 N O2
• Calculated formula: C52.596 H55.668 N O2
• 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: 10.2446 ± 0.0002 Å
• b: 42.1839 ± 0.0008 Å
• c: 9.6655 ± 0.0001 Å
• α: 90°
• β: 92.302 ± 0.002°
• γ: 90°
• Cell volume: 4173.64 ± 0.12 ų
• Cell temperature: 106 ± 9 K
• Ambient diffraction temperature: 106 ± 9 K
• Number of distinct elements: 4
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2707
• Weighted residual factors for all reflections included in the refinement: 0.3464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No