Information card for entry 2014437

Structure parameters

• Chemical name: 2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde
• Formula: C29 H36 O4
• Calculated formula: C29 H36 O4
• SMILES: C=CCOc1c(cc(cc1C=O)C(C)(C)C)Cc1cc(cc(c1OCC=C)C=O)C(C)(C)C
• 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: 16.2931 ± 0.001 Å
• b: 10.1951 ± 0.0006 Å
• c: 16.4318 ± 0.001 Å
• α: 90°
• β: 108.367 ± 0.001°
• γ: 90°
• Cell volume: 2590.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes