Information card for entry 1508648

Structure parameters

• Formula: C22 H14 O6
• Calculated formula: C22 H14 O6
• SMILES: [C@]12(C=CC(=O)c3ccc4c(c13)c1c3[C@@](C=CC(=O)c3ccc1O2)(O4)OC)OC
• Title of publication: Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.
• Authors of publication: Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4862 - 4865
• a: 11.3087 ± 0.0006 Å
• b: 13.2371 ± 0.0008 Å
• c: 11.233 ± 0.0007 Å
• α: 90°
• β: 102.401 ± 0.002°
• γ: 90°
• Cell volume: 1642.28 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No