Information card for entry 7058048

Structure parameters

• Formula: C27 H23 N5 O2 S
• Calculated formula: C27 H23 N5 O2 S
• Title of publication: Skeletal rearrangement of arylmethylideneimidazo[4,5-e]thiazolo[3,2-b]-1,2,4-triazine-2,7-diones in the synthesis of the corresponding imidazo[4,5-e]thiazolo[2,3-c]-1,2,4-triazine-2,8-diones
• Authors of publication: Izmest’ev, Alexei N.; Vasileva, Darya A.; Melnikova, Elizaveta K.; Kolotyrkina, Natalya G.; Borisova, Irina A.; Kravchenko, Angelina N.; Gazieva, Galina A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 1038
• a: 14.0358 ± 0.0017 Å
• b: 22.951 ± 0.003 Å
• c: 14.5248 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4679 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No