Information card for entry 1508647

Structure parameters

• Formula: C20 H10 O4
• Calculated formula: C20 H10 O4
• SMILES: c12cccc3C=CC(=O)[C@]4(c13)[C@]1(c3c(cccc3C=CC1=O)O4)O2.c12cccc3C=CC(=O)[C@@]4(c13)[C@@]1(c3c(cccc3C=CC1=O)O4)O2
• 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: 7.8712 ± 0.0002 Å
• b: 8.5353 ± 0.0002 Å
• c: 11.5772 ± 0.0003 Å
• α: 80.313 ± 0.001°
• β: 79.366 ± 0.001°
• γ: 68.638 ± 0.001°
• Cell volume: 707.56 ± 0.03 ų
• Cell temperature: 157 ± 1 K
• Ambient diffraction temperature: 157 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No