Information card for entry 1555039

Structure parameters

• Formula: C26 H28 O5
• Calculated formula: C26 H28 O5
• SMILES: Oc1c2ccccc2c(c(c1C(=O)OCC)C(=O)OCC)c1ccc(cc1)C(C)(C)C
• Title of publication: Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.
• Authors of publication: Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3446 - 3449
• a: 10.896 ± 0.004 Å
• b: 11.118 ± 0.005 Å
• c: 11.442 ± 0.004 Å
• α: 109.812 ± 0.005°
• β: 100.766 ± 0.0013°
• γ: 111.223 ± 0.006°
• Cell volume: 1137.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1048
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No