Information card for entry 4517744

Structure parameters

• Formula: C23 H19 N5 O2
• Calculated formula: C23 H19 N5 O2
• Title of publication: Scaffolding-induced property modulation of chemical space.
• Authors of publication: Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander
• Journal of publication: ACS combinatorial science
• Year of publication: 2020
• a: 8.3345 ± 0.0003 Å
• b: 12.5564 ± 0.0003 Å
• c: 38.1656 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3994.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No