Information card for entry 7713390

Structure parameters

• Formula: C23 H24 Co N3 O4.5
• Calculated formula: C23 H23 Co N3 O4.5
• SMILES: [Co]1234([N](Cc5[n]2c(c2[n]1c(ccc2)C)ccc5)(CC(=O)O4)Cc1ccccc1)[O]=C(O3)C.O
• Title of publication: Flavonol dioxygenation catalysed by cobalt(II) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity
• Authors of publication: Podder, Nirmalya; Saha, Anannya; Barman, Suman K.; Mandal, Sukanta
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 30.46 ± 0.03 Å
• b: 10.531 ± 0.007 Å
• c: 15.734 ± 0.014 Å
• α: 90°
• β: 116.17 ± 0.04°
• γ: 90°
• Cell volume: 4530 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1299
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No