Information card for entry 2202323

Structure parameters

• Common name: Diisopropyl(2-hydroxy-1-naphthyl)methylphosphonate
• Formula: C17 H23 O4 P
• Calculated formula: C17 H23 O4 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)Cc1c(O)ccc2ccccc12
• Title of publication: Diisopropyl [(2-hydroxy-1-naphthyl)methyl]phosphonate
• Authors of publication: Zarychta, Bartosz; Zaleski, Jacek; Gawdzik, Barbara; Iwanek, Waldemar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1055 - o1057
• a: 9.166 ± 0.001 Å
• b: 22.484 ± 0.002 Å
• c: 9.579 ± 0.001 Å
• α: 90°
• β: 118.21 ± 0.01°
• γ: 90°
• Cell volume: 1739.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes