Information card for entry 2011467

Structure parameters

• Chemical name: 10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4'3':2,3]1,2,4- triazino[5,6-b]indole
• Formula: C19 H16 N6 O
• Calculated formula: C19 H16 N6 O
• SMILES: O(c1ccc(c2n3nc4c5c(n(c4nc3nn2)CC)cccc5)cc1)C
• Title of publication: 10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4',3':2,3]-1,2,4-triazino[5,6-<i>b</i>]indole
• Authors of publication: Shaban, Mohammed A. E.; Morgaan, Ali, E. A.; Chun, Hyungphil; Bernal, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e472 - e473
• a: 9.42 ± 0.003 Å
• b: 9.805 ± 0.004 Å
• c: 11.228 ± 0.006 Å
• α: 114.55 ± 0.04°
• β: 114.67 ± 0.04°
• γ: 91.03 ± 0.03°
• Cell volume: 833.9 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.208
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections: 0.831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No