Information card for entry 7134558

Structure parameters

• Formula: C62.3 H56.6 Cl0.6 N2 O4
• Calculated formula: C62.3 H56.6 Cl0.6 N2 O4
• Title of publication: A switchable red-emitting fluorophore involving a 7.6.6 defect
• Authors of publication: Dutta, Arnab; Dzieszkowski, Krzysztof; Kijewska, Monika; Siczek, Miłosz; Orzeł, Łukasz; Pawlicki, Miłosz
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9424 - 9427
• a: 12.788 ± 0.003 Å
• b: 14.331 ± 0.004 Å
• c: 14.493 ± 0.004 Å
• α: 99.07 ± 0.04°
• β: 98.6 ± 0.04°
• γ: 91.04 ± 0.03°
• Cell volume: 2591 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No