Information card for entry 7711618

Structure parameters

• Formula: C29 H27 N3 O6 Zn
• Calculated formula: C29 H27 N3 O6 Zn
• 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: 14.27 ± 0.05 Å
• b: 12.9 ± 0.04 Å
• c: 15.06 ± 0.05 Å
• α: 90°
• β: 92.99 ± 0.05°
• γ: 90°
• Cell volume: 2769 ± 16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No