Information card for entry 7102796

Structure parameters

• Common name: tBu3PhOH
• Chemical name: tBu3PhOH
• Formula: C18 H27.99 O0.99
• Calculated formula: C18 H27.99 O0.99
• Title of publication: The first crystal structure of a monomeric phenoxyl radical: 2,4,6-tri-tert-butylphenoxyl radical
• Authors of publication: Manner, Virginia W.; Markle, Todd F.; Freudenthal, John H.; Roth, Justine P.; Mayer, James M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 256 - 258
• a: 10.0648 ± 0.0005 Å
• b: 17.4311 ± 0.0009 Å
• c: 19.6355 ± 0.0009 Å
• α: 90°
• β: 90.185 ± 0.003°
• γ: 90°
• Cell volume: 3444.8 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No