Information card for entry 4034266

Structure parameters

• Formula: C20 H20 N5 O5
• Calculated formula: C20 H22 N4 O2
• SMILES: c12ccccc1c1c3c(cc(c(c3)OC)OC)nn1c(n2)NC(C)(C)C
• Title of publication: Pd-Catalyzed Four-Component Sequential Reaction Delivers a Modular Fluorophore Platform for Cell Imaging.
• Authors of publication: Ansari, Arshad J.; Joshi, Gaurav; Sharma, Praveen; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Chandaluri, Chanchayya Gupta; Kumar, Raj; Singh, Sandeep; Sawant, Devesh M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 3817 - 3825
• a: 15.026 ± 0.0003 Å
• b: 9.941 ± 0.0002 Å
• c: 12.0298 ± 0.0003 Å
• α: 90°
• β: 99.127 ± 0.0008°
• γ: 90°
• Cell volume: 1774.18 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0592
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No