Information card for entry 7135877

Structure parameters

• Formula: C32 H16 N4 O4
• Calculated formula: C32 H16 N4 O4
• 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: 6.994 ± 0.003 Å
• b: 16.658 ± 0.006 Å
• c: 20.028 ± 0.008 Å
• α: 90°
• β: 95.265 ± 0.015°
• γ: 90°
• Cell volume: 2323.5 ± 1.6 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 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: 0.1049
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No