Information card for entry 2239974

Structure parameters

• Chemical name: (<i>R</i>)-2'-Benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate
• Formula: C28 H19 F3 O4 S
• Calculated formula: C28 H19 F3 O4 S
• SMILES: S(=O)(=O)(Oc1ccc2ccccc2c1c1c2ccccc2ccc1OCc1ccccc1)C(F)(F)F
• Title of publication: Crystal structure of (<i>R</i>)-2'-benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate
• Authors of publication: Carrilho, Rui M. B.; Pereira, Mariette M.; Maria, Teresa M. R.; Eusébio, M. Ermelinda S.; Rodrigues, V. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1096 - o1097
• a: 9.3383 ± 0.0004 Å
• b: 12.338 ± 0.0005 Å
• c: 20.5893 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2372.22 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes