Information card for entry 2008336

Structure parameters

• Chemical name: Triphenylphosphoniopropionate dihydrate
• Formula: C21 H23 O4 P
• Calculated formula: C21 H23 O4 P
• Title of publication: 3-Triphenylphosphoniopropionate dihydrate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 646 - 648
• a: 9.125 ± 0.0007 Å
• b: 12.769 ± 0.001 Å
• c: 16.428 ± 0.002 Å
• α: 90°
• β: 98.738 ± 0.009°
• γ: 90°
• Cell volume: 1891.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1303
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes