Information card for entry 7060140

Structure parameters

• Formula: C22 H25 N5
• Calculated formula: C22 H25 N5
• Title of publication: N-Substituted tetrahydropentaazadibenzocycloheptafluorenes ‒ a new type of condensed polyazapolycyclic system
• Authors of publication: Rakhimova, Elena B.; Kirsanov, Victor Yu.; Mescheryakova, Ekaterina S.; Khalilov, Leonard M.; Ibragimov, Askhat G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1240 - 1246
• a: 9.5806 ± 0.0004 Å
• b: 18.4584 ± 0.0009 Å
• c: 10.4334 ± 0.0004 Å
• α: 90°
• β: 91.07 ± 0.004°
• γ: 90°
• Cell volume: 1844.75 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No