Information card for entry 2007753

Structure parameters

• Chemical name: (R,R)-trans-1,2-Bis(2-hydroxyphenyl)cyclopentane,bis(R)-O-methylmandelic acid ester
• Formula: C35 H34 O6
• Calculated formula: C35 H34 O6
• SMILES: [C@@H]1([C@@H](CCC1)c1c(cccc1)OC(=O)[C@@H](c1ccccc1)OC)c1c(cccc1)OC(=O)[C@@H](c1ccccc1)OC
• Title of publication: <i>trans</i>-(<i>R</i>,<i>R</i>)-2,2'-(Cyclopenta-1,2-diyl)diphenyl Bis[(<i>R</i>)-<i>O</i>-methylmandelate]
• Authors of publication: Lynch, Vincent M.; Apodaca, Richard; Whitesell, James K.; Chou, Ming I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: IUC9800052
• a: 17.232 ± 0.001 Å
• b: 7.294 ± 0.001 Å
• c: 23.241 ± 0.002 Å
• α: 90°
• β: 95.27 ± 0.01°
• γ: 90°
• Cell volume: 2908.8 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.0856
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No