Information card for entry 2101361

Structure parameters

• Formula: C5 H12 O4
• Calculated formula: C5 H12 O4
• SMILES: OCC(CO)(CO)CO
• Title of publication: High-pressure X-ray diffraction study of pentaerythritol
• Authors of publication: Katrusiak, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 873 - 879
• a: 6.0173 ± 0.001 Å
• b: 6.0173 ± 0.001 Å
• c: 8.267 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 299.33 ± 0.13 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No