Information card for entry 7249178

Structure parameters

• Formula: C25 H19 N3 O2
• Calculated formula: C25 H19 N3 O2
• Title of publication: Synthesis and computational evaluation of the antioxidant activity of pyrrolo[2,3-b]quinoxaline derivatives
• Authors of publication: Nguyen, Nguyen Tran; Dai, Vo Viet; Mechler, Adam; Van Meervelt, Luc; Hoa, Nguyen Thi; Vo, Quan V.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 24438 - 24446
• a: 9.7669 ± 0.0005 Å
• b: 10.7587 ± 0.0008 Å
• c: 18.6574 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No