Information card for entry 2227914

Structure parameters

• Chemical name: 2,2'-Dimethyl-5,5'-dipropan-2-yl-4,4'-(phenylmethylene)diphenol
• Formula: C27 H32 O2
• Calculated formula: C27 H32 O2
• SMILES: C(c1ccccc1)(c1c(cc(c(c1)C)O)C(C)C)c1c(cc(c(c1)C)O)C(C)C
• Title of publication: 2,2'-Dimethyl-5,5'-dipropan-2-yl-4,4'-(phenylmethylene)diphenol
• Authors of publication: Oubair, Ahmad; Fihi, Rachid; Majidi, Lhou; Azrour, Mohamed; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2391 - o2392
• a: 11.3775 ± 0.0007 Å
• b: 24.6369 ± 0.0011 Å
• c: 8.8687 ± 0.0006 Å
• α: 90°
• β: 112.913 ± 0.008°
• γ: 90°
• Cell volume: 2289.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes