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Information card for entry 1547125
Preview
Coordinates | 1547125.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H26 N4 O5 |
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Calculated formula | C26 H26 N4 O5 |
SMILES | C\1(=N/Nc2ccc(cc2N(=O)=O)N(=O)=O)CCC[C@](c2ccc(C)cc2)(c2ccc(cc2)OC)C1 |
Title of publication | Enantioselective, Palladium-Catalyzed Conjugate Additions of Arylboronic Acids to Form Bis-benzylic Quaternary Stereocenters. |
Authors of publication | Kadam, Abhishek A.; Ellern, Arkady; Stanley, Levi M. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 15 |
Pages of publication | 4062 - 4065 |
a | 7.2089 ± 0.0018 Å |
b | 8.081 ± 0.002 Å |
c | 20.594 ± 0.006 Å |
α | 81.103 ± 0.009° |
β | 84.522 ± 0.012° |
γ | 84.478 ± 0.011° |
Cell volume | 1175.8 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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200643 (current) | 2017-09-12 | cif/ Adding structures of 1547125 via cif-deposit CGI script. |
1547125.cif |
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Users of the data should acknowledge the original authors of the
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