Information card for entry 7705019

Structure parameters

• Formula: C6 H16 N4 O5.5 V
• Calculated formula: C6 H16 N4 O5.5 V
• 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: 13.8138 ± 0.0006 Å
• b: 5.1262 ± 0.0002 Å
• c: 17.0635 ± 0.0007 Å
• α: 90°
• β: 112.374 ± 0.005°
• γ: 90°
• Cell volume: 1117.34 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No