Information card for entry 7249392

Structure parameters

• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• Title of publication: Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry
• Authors of publication: Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 8.1231 ± 0.0001 Å
• b: 9.1098 ± 0.0002 Å
• c: 19.3288 ± 0.0003 Å
• α: 90°
• β: 94.209 ± 0.002°
• γ: 90°
• Cell volume: 1426.47 ± 0.04 ų
• Cell temperature: 266.5 ± 0.3 K
• Ambient diffraction temperature: 266.15 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: 0.052
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No