Information card for entry 4038592

Structure parameters

• Formula: C15 H18 N2 O5
• Calculated formula: C15 H18 N2 O5
• Title of publication: A rearrangement of 7-aryloxazolo[5,4-b]pyridines to benzo[c][1,7]naphthyridine-4(3H)-ones and thieno[3,2-c][1,7]naphthyridine-6(7H)-ones.
• Authors of publication: Shatsauskas, Anton L.; Mamonova, Tatyana E.; Stasyuk, Anton J.; Chernenko, Sergey A.; Slepukhin, Pavel A.; Kostyuchenko, Anastasia S.; Fisyuk, Alexander Semenovich
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.804 ± 0.0011 Å
• b: 12.317 ± 0.002 Å
• c: 17.084 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No