Information card for entry 4037740

Structure parameters

• Formula: C23 H25 N3 O5
• Calculated formula: C23 H25 N3 O5
• SMILES: c1ccnc2C3=Cc4c(c(c(cc4C(C(=O)NC(C)(C)C)N3C(=O)c12)OC)OC)OC
• Title of publication: Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.
• Authors of publication: Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 12.933 ± 0.003 Å
• b: 8.557 ± 0.002 Å
• c: 21.466 ± 0.005 Å
• α: 90°
• β: 106.644 ± 0.007°
• γ: 90°
• Cell volume: 2276.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1972
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No