Information card for entry 7132626

Structure parameters

• Formula: C13 H9 N O3
• Calculated formula: C13 H9 N O3
• SMILES: O=C1N(C(=O)c2c3c(ccc2)c(O)ccc13)C
• Title of publication: Cobalt(II)-catalyzed <i>peri</i>-C(sp²)-H selective hydroxylation of naphthalene monoimides.
• Authors of publication: Chand, Tapasi; Gupta, Princi; Oza, Nehali; Kapur, Manmohan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 13
• Pages of publication: 1770 - 1773
• a: 3.8378 ± 0.0002 Å
• b: 8.6367 ± 0.0005 Å
• c: 29.4303 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 975.49 ± 0.1 ų
• Cell temperature: 185 K
• Ambient diffraction temperature: 185 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: 0.0529
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0463
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No