Information card for entry 2014439

Structure parameters

• Chemical name: 2,2'‒Dihydroxy‒5,5'‒di‒tert‒butyl‒3,3'‒ methanediyldibenzaldehyde
• Formula: C23 H28 O4
• Calculated formula: C23 H28 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: 26.809 ± 0.002 Å
• b: 8.4543 ± 0.0007 Å
• c: 21.372 ± 0.0018 Å
• α: 90°
• β: 120.618 ± 0.001°
• γ: 90°
• Cell volume: 4168.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes