Information card for entry 7135347

Structure parameters

• Formula: C45 H44 N2 O2 S2
• Calculated formula: C45 H44 N2 O2 S2
• Title of publication: One Spiro to Shift Them All: Tuning Fluorescent Organic Nanoparticles Emission via Steric Design
• Authors of publication: KUREK, Eleonore; Dal Pra, Ophélie; Skrzypczak, Aliocha; Massip, Stephane; Daniel, Jonathan; Blanchard-Desce, Mireille; Grazon, Chloé
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 20.2872 ± 0.0009 Å
• b: 20.8753 ± 0.001 Å
• c: 9.1499 ± 0.0004 Å
• α: 90°
• β: 102.409 ± 0.004°
• γ: 90°
• Cell volume: 3784.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No