Information card for entry 7245631

Structure parameters

• Formula: C8 H6 N4 O2
• Calculated formula: C8 H6 N4 O2
• Title of publication: [3+2] click chemistry approach to tetrazine containing polymers
• Authors of publication: Chavez, David E.; Tappan, Bryce C.; Kuehl, Valerie A.; Schmalzer, Andrew M.; Leonard, Philip W.; Wu, Ruilian; Imler, Greg H.; Parrish, Damon A.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 28490 - 28493
• a: 8.5211 ± 0.0004 Å
• b: 6.8626 ± 0.0003 Å
• c: 7.556 ± 0.0004 Å
• α: 90°
• β: 101.533 ± 0.001°
• γ: 90°
• Cell volume: 432.93 ± 0.04 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: 0.0494
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No