Information card for entry 7226512

Structure parameters

• Formula: C21 H20 N6 O2
• Calculated formula: C21 H20 N6 O2
• SMILES: O=C(OCC)C1=NN(c2nc(N)c(c3NC(C=C1c23)(C)C)C#N)c1ccccc1
• Title of publication: Use of a novel multicomponent reaction under high pressure for the efficient construction of the new pyridazino[5,4,3-de][1,6]naphthyridine tricyclic system
• Authors of publication: Mostafa, Mostafa S.; Elnagdi, Mohamed H.; Al-Mousawi, Saleh
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.038 ± 0.006 Å
• b: 11.242 ± 0.009 Å
• c: 13.208 ± 0.011 Å
• α: 69.924 ± 0.012°
• β: 75.476 ± 0.018°
• γ: 82.35 ± 0.02°
• Cell volume: 948.9 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No