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Information card for entry 4034556
Preview
Coordinates | 4034556.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 O6 |
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Calculated formula | C21 H18 O6 |
SMILES | o1c(=O)c2c(O[C@](O)(C[C@H]2c2ccc(cc2)C)C(=O)OC)c2c1cccc2 |
Title of publication | Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives. |
Authors of publication | Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 21 |
Pages of publication | 13824 - 13831 |
a | 9.2943 ± 0.0004 Å |
b | 10.1497 ± 0.0004 Å |
c | 19.3054 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1821.16 ± 0.13 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0274 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034556.html
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