Information card for entry 4037858

Structure parameters

• Formula: C32 H22 O6
• Calculated formula: C32 H22 O6
• SMILES: O(C(=O)C)c1c(cc(C2(Oc3c4ccccc4ccc3C2=O)c2ccccc2)c2c1cccc2)OC(=O)C
• Title of publication: Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.
• Authors of publication: Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.128 ± 0.0004 Å
• b: 10.6123 ± 0.0006 Å
• c: 14.7375 ± 0.0008 Å
• α: 84.715 ± 0.002°
• β: 79.253 ± 0.002°
• γ: 75.963 ± 0.002°
• Cell volume: 1210.15 ± 0.11 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No