Information card for entry 2014436

Structure parameters

• Chemical name: 2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemethanol
• Formula: C29 H40 O4
• Calculated formula: C29 H40 O4
• Title of publication: 5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors
• Authors of publication: Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o776 - o780
• a: 10.6025 ± 0.0011 Å
• b: 11.9199 ± 0.0012 Å
• c: 12.418 ± 0.0013 Å
• α: 64.611 ± 0.002°
• β: 82.672 ± 0.002°
• γ: 66.33 ± 0.002°
• Cell volume: 1296.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes