Information card for entry 7718734

Structure parameters

• Formula: C18 H45 N2 O6 P
• Calculated formula: C18 H45 N2 O6 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: 15.4547 ± 0.001 Å
• b: 6.4842 ± 0.0003 Å
• c: 25.2056 ± 0.0017 Å
• α: 90°
• β: 104.49 ± 0.007°
• γ: 90°
• Cell volume: 2445.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0398
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No