Information card for entry 2013820

Structure parameters

• Chemical name: 6,6'-di-tert-butyl-8,8'-methylenebis(spiro[4H-1,3-benzodioxine-2,1'- cyclohexane])
• Formula: C35 H48 O4
• Calculated formula: C35 H48 O4
• SMILES: O1Cc2c(OC31CCCCC3)c(cc(c2)C(C)(C)C)Cc1c2OC3(OCc2cc(c1)C(C)(C)C)CCCCC3
• 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: 12.7635 ± 0.001 Å
• b: 10.0278 ± 0.0009 Å
• c: 23.2629 ± 0.0013 Å
• α: 90°
• β: 91.496 ± 0.005°
• γ: 90°
• Cell volume: 2976.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1469
• 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: No
• Has Fobs: Yes