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Information card for entry 4032900
Preview
Coordinates | 4032900.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H42 B N O5 |
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Calculated formula | C35 H42 B N O5 |
SMILES | O1C(C(OB1C1=C2[C@H](CCCC2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@]21CCO[C@@H]2CCc1ccccc1)(C)C)(C)C.O1C(C(OB1C1=C2[C@@H](CCCC2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@]21CCO[C@H]2CCc1ccccc1)(C)C)(C)C |
Title of publication | Copper(I)-Catalyzed Regio- and Stereoselective Intramolecular Alkylboration of Propargyl Ethers and Amines. |
Authors of publication | Iwamoto, Hiroaki; Ozawa, Yu; Kubota, Koji; Ito, Hajime |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 19 |
Pages of publication | 10563 - 10573 |
a | 9.018 ± 0.002 Å |
b | 12.803 ± 0.003 Å |
c | 13.586 ± 0.003 Å |
α | 92.859 ± 0.004° |
β | 106.099 ± 0.003° |
γ | 90.084 ± 0.004° |
Cell volume | 1505 ± 0.6 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1278 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.