Information card for entry 7160351

Structure parameters

• Formula: C6 H3 N4 O3
• Calculated formula: C6 H3 N4 O3
• Title of publication: A new tetrazine catalytic system for the synthesis of <i>N</i>-aryl-α-arylated glycine ester derivatives.
• Authors of publication: Tu, Shunqi; Chen, Tiantian; Yuan, Zijian; Wang, Jianchun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2450 - 2455
• a: 9.1663 ± 0.0002 Å
• b: 10.7506 ± 0.0002 Å
• c: 7.6582 ± 0.0002 Å
• α: 90°
• β: 107.38 ± 0.002°
• γ: 90°
• Cell volume: 720.21 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No