Information card for entry 7220398

Structure parameters

• Formula: C11 H19 O5 P
• Calculated formula: C11 H19 O5 P
• Title of publication: 2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation
• Authors of publication: Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 4355
• a: 17.986 ± 0.003 Å
• b: 7.8722 ± 0.0011 Å
• c: 28.879 ± 0.004 Å
• α: 90°
• β: 92.107 ± 0.003°
• γ: 90°
• Cell volume: 4086.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No