Information card for entry 7201119

Structure parameters

• Common name: 1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)
• Chemical name: 1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)
• Formula: C34 H38 O4
• Calculated formula: C34 H38 O4
• SMILES: OC(c1ccccc1)(C(O)(c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Selectivity by benzopinacol
• Authors of publication: Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2332
• a: 9.2973 ± 0.0019 Å
• b: 18.077 ± 0.004 Å
• c: 16.677 ± 0.003 Å
• α: 90°
• β: 92.36 ± 0.03°
• γ: 90°
• Cell volume: 2800.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No