Information card for entry 1576548

Structure parameters

• Chemical name: 3-(propargyloxy)-7-(2,4-di(propargylester)phenyl)-xanth-10-one acetone solvate(1:1)
• Formula: C37 H26 O8
• Calculated formula: C37 H26 O8
• Title of publication: Aggregation-induced emission active seminaphthofluoresceins: a new class of xanthene luminogens for bioimaging.
• Authors of publication: McKay, Laura; Zhang, Issan; Suh, Imogen; Bohle, D. Scott; Kakkar, Ashok; Maysinger, Dusica
• Journal of publication: Nanoscale
• Year of publication: 2026
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 3194 - 3208
• a: 9.689 ± 0.01 Å
• b: 12.113 ± 0.012 Å
• c: 13.682 ± 0.014 Å
• α: 108.425 ± 0.01°
• β: 93.04 ± 0.011°
• γ: 102.406 ± 0.011°
• Cell volume: 1475 ± 3 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No