Information card for entry 7711620

Structure parameters

• Formula: C43 H36 Co N3 O6
• Calculated formula: C43 H36 Co N3 O6
• Title of publication: The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.
• Authors of publication: Podder, Nirmalya; Mandal, Sukanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 9.5859 ± 0.0016 Å
• b: 36.019 ± 0.004 Å
• c: 10.7112 ± 0.0019 Å
• α: 90°
• β: 92.771 ± 0.018°
• γ: 90°
• Cell volume: 3694 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No