Information card for entry 7160393

Structure parameters

• Formula: C19 H14 N2 O4
• Calculated formula: C19 H16 N2 O4
• Title of publication: PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold.
• Authors of publication: Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3208 - 3223
• a: 15.6051 ± 0.001 Å
• b: 9.8026 ± 0.0006 Å
• c: 21.1562 ± 0.0013 Å
• α: 90°
• β: 98.295 ± 0.006°
• γ: 90°
• Cell volume: 3202.4 ± 0.3 ų
• Cell temperature: 243 ± 60 K
• Ambient diffraction temperature: 243 ± 60 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No