Information card for entry 7244759

Structure parameters

• Formula: C20 H35 N2 O4 P
• Calculated formula: C20 H35 N2 O4 P
• Title of publication: Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate
• Authors of publication: Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 19.7198 ± 0.0004 Å
• b: 15.6597 ± 0.0003 Å
• c: 27.7238 ± 0.0007 Å
• α: 90°
• β: 101.019 ± 0.002°
• γ: 90°
• Cell volume: 8403.4 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No