Information card for entry 7061384

Structure parameters

• Formula: C13 H13 N O4
• Calculated formula: C13 H13 N O4
• SMILES: O[C@@H](c1c(N(=O)=O)cccc1)[C@H]1C(=O)C=CCC1.O[C@H](c1c(N(=O)=O)cccc1)[C@@H]1C(=O)C=CCC1
• Title of publication: A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration
• Authors of publication: Sarkar, Rumpa; Samanta, Surya Kanta; Hasija, Avantika; Chopra, Deepak; Ganguly, Debabani; Bera, Mrinal K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 7168 - 7176
• a: 8.283 ± 0.004 Å
• b: 8.309 ± 0.004 Å
• c: 9.834 ± 0.005 Å
• α: 81.847 ± 0.012°
• β: 84.967 ± 0.012°
• γ: 61.229 ± 0.012°
• Cell volume: 587.1 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1721
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2782
• Weighted residual factors for all reflections included in the refinement: 0.3291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No