Information card for entry 4037738

Structure parameters

• Formula: C25 H29 N3 O5
• Calculated formula: C24 H27 N3 O5
• SMILES: COc1c(c2c(C(N3C(=O)c4cccnc4C3=C2C)C(=O)NC(C)(C)C)cc1OC)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: 8.6937 ± 0.001 Å
• b: 11.3319 ± 0.0013 Å
• c: 12.5649 ± 0.0015 Å
• α: 69.2 ± 0.003°
• β: 87.711 ± 0.004°
• γ: 88.616 ± 0.004°
• Cell volume: 1156.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1713
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No