Information card for entry 7705016

Structure parameters

• Formula: C30 H31 N6 O14 V2
• Calculated formula: C30 H31 N6 O14 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: 14.6292 ± 0.0003 Å
• b: 18.101 ± 0.0003 Å
• c: 15.3035 ± 0.0003 Å
• α: 90°
• β: 103.274 ± 0.002°
• γ: 90°
• Cell volume: 3944.15 ± 0.13 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No