Information card for entry 4517742

Structure parameters

• Formula: C24 H21 N5 O2
• Calculated formula: C24 H21 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: 6.375 ± 0.0001 Å
• b: 20.0436 ± 0.0007 Å
• c: 24.657 ± 0.0009 Å
• α: 100.604 ± 0.003°
• β: 97.291 ± 0.002°
• γ: 98.132 ± 0.002°
• Cell volume: 3027.57 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No