Information card for entry 2013819

Structure parameters

• Chemical name: 5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde
• Formula: C23 H28 O4
• Calculated formula: C23 H28 O4
• SMILES: O=Cc1cc(cc(c1O)Cc1cc(cc(c1O)C=O)C(C)(C)C)C(C)(C)C
• Title of publication: 5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])
• Authors of publication: Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o107 - o109
• a: 12.7655 ± 0.0005 Å
• b: 12.7655 ± 0.0005 Å
• c: 24.1122 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3929.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes