Information card for entry 2220758

Structure parameters

• Chemical name: (<i>R</i>)-Di-<i>tert</i>-butyl 1,1'-binaphthyl-2,2'-dicarboxylate
• Formula: C30 H30 O4
• Calculated formula: C30 H30 O4
• SMILES: O=C(C(C)(C)C)Oc1ccc2c(c1c1c(ccc3c1cccc3)OC(=O)C(C)(C)C)cccc2
• Title of publication: (<i>R</i>)-Di-<i>tert</i>-butyl 1,1'-binaphthyl-2,2'-dicarboxylate
• Authors of publication: Thoss, Melanie; Seidel, Rüdiger W.; Feigel, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o243
• a: 9.6972 ± 0.0004 Å
• b: 25.8488 ± 0.0013 Å
• c: 19.9 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4988.2 ± 0.4 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes