Information card for entry 1502349

Structure parameters

• Formula: C36 H34 O
• Calculated formula: C36 H34 O
• SMILES: C1c2ccccc2CC21CCc1ccccc1[C@@H]2O[C@H]1c2ccccc2CCC21Cc1ccccc1C2.C1c2ccccc2CC21CCc1ccccc1[C@H]2O[C@@H]1c2ccccc2CCC21Cc1ccccc1C2
• Title of publication: An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.
• Authors of publication: Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4304 - 4307
• a: 10.3318 ± 0.0003 Å
• b: 18.3947 ± 0.0005 Å
• c: 14.2896 ± 0.0004 Å
• α: 90°
• β: 108.039 ± 0.003°
• γ: 90°
• Cell volume: 2582.25 ± 0.13 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: 0.0479
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No