Information card for entry 7718730

Structure parameters

• Formula: C5 H13 O4 P
• Calculated formula: C5 H13 O4 P
• Title of publication: Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.
• Authors of publication: Kumar, Anuj; Murugavel, Ramaswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 10691 - 10709
• a: 13.142 ± 0.002 Å
• b: 6.0035 ± 0.001 Å
• c: 10.6035 ± 0.0018 Å
• α: 90°
• β: 97.597 ± 0.006°
• γ: 90°
• Cell volume: 829.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No