Information card for entry 1542396

Structure parameters

• Formula: C21 H16 O3
• Calculated formula: C21 H16 O3
• SMILES: O(Cc1ccccc1)C(=O)C(=O)c1ccc(c2ccccc2)cc1
• Title of publication: In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study.
• Authors of publication: Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 144 - 147
• a: 8.233 ± 0.003 Å
• b: 5.5792 ± 0.0018 Å
• c: 34.637 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No