Information card for entry 7153489

Structure parameters

• Formula: C26.5 H22.5 N3.5 O5.5
• Calculated formula: C26.5 H22.5 N3.5 O5.5
• Title of publication: 3-Methoxalylchromone‒a novel versatile reagent for the regioselective purine isostere synthesis.
• Authors of publication: Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5280 - 5284
• a: 12.244 ± 0.009 Å
• b: 14.288 ± 0.01 Å
• c: 26.562 ± 0.019 Å
• α: 90°
• β: 95.317 ± 0.013°
• γ: 90°
• Cell volume: 4627 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No