Information card for entry 7135878

Structure parameters

• Formula: C88 H36 N14 O6
• Calculated formula: C88 H36 N14 O6
• Title of publication: Multi-colour and red emissions from a small donor-acceptor molecule by breaching Kasha's rule
• Authors of publication: G, Prathaban; Sharma, Akanksha; De, Soumen; Pramanik, Susnata
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.1201 ± 0.0005 Å
• b: 16.0962 ± 0.0007 Å
• c: 20.8415 ± 0.001 Å
• α: 89.55 ± 0.002°
• β: 82.058 ± 0.002°
• γ: 79 ± 0.001°
• Cell volume: 3300 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No