Information card for entry 2018060

Structure parameters

• Chemical name: 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol
• Formula: C38 H48 N O P
• Calculated formula: C38 H48 N O P
• Title of publication: Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol
• Authors of publication: Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o151 - o153
• a: 9.4999 ± 0.0015 Å
• b: 11.9323 ± 0.0019 Å
• c: 15.247 ± 0.003 Å
• α: 88.658 ± 0.003°
• β: 76.925 ± 0.003°
• γ: 89.38 ± 0.003°
• Cell volume: 1683 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No