Information card for entry 2312805

Structure parameters

• Common name: Erythritol
• Chemical name: (2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetrol
• Formula: C4 H10 O4
• Calculated formula: C4 H10 O4
• Title of publication: Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV.
• Authors of publication: Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 252 - 258
• a: 12.789 ± 0.0003 Å
• b: 12.789 ± 0.0003 Å
• c: 6.8269 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1116.6 ± 0.05 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes