Information card for entry 7705018

Structure parameters

• Formula: C52 H24 N12 O8 V2
• Calculated formula: C52 H24 N12 O8 V2
• Title of publication: Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH₄VO₃ or V₂O₅.
• Authors of publication: Deng, Lan; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11921 - 11930
• a: 21.4251 ± 0.0006 Å
• b: 15.6225 ± 0.0004 Å
• c: 13.7562 ± 0.0003 Å
• α: 90°
• β: 96.682 ± 0.002°
• γ: 90°
• Cell volume: 4573.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1052
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2574
• Weighted residual factors for all reflections included in the refinement: 0.3036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No