Information card for entry 7105309

Structure parameters

• Common name: 04323
• Formula: C53 H51 B Fe N4 O3
• Calculated formula: C53 H51 B Fe N4 O3
• Title of publication: Oxidative decarboxylation of alpha-hydroxy acids by a functional model of the nonheme iron oxygenase, CloR.
• Authors of publication: Paine, Tapan Kanti; Paria, Sayantan; Que, Jr, Lawrence
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1830 - 1832
• a: 18.3459 ± 0.0017 Å
• b: 20.4138 ± 0.0019 Å
• c: 26.054 ± 0.002 Å
• α: 78.286 ± 0.002°
• β: 76.716 ± 0.002°
• γ: 74.207 ± 0.002°
• Cell volume: 9034.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No