Information card for entry 7153087

Structure parameters

• Formula: C29 H20 N4 O
• Calculated formula: C29 H20 N4 O
• Title of publication: Synthesis and properties of imidazolo-fused benzotriazinyl radicals.
• Authors of publication: Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 6780 - 6795
• a: 7.8405 ± 0.0013 Å
• b: 9.2163 ± 0.0012 Å
• c: 15.484 ± 0.002 Å
• α: 96.813 ± 0.011°
• β: 90.713 ± 0.013°
• γ: 104.161 ± 0.013°
• Cell volume: 1076.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No