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Information card for entry 4514746
Preview
Coordinates | 4514746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 B N3 O4 |
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Calculated formula | C31 H38 B N3 O4 |
SMILES | O=C(Nc1ccc(OC)c2cccnc12)C[C@H]([C@H](c1c2ccccc2n(c1)C)CC)B1OC(C(O1)(C)C)(C)C |
Title of publication | Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds |
Authors of publication | Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 3260 |
a | 6.5323 ± 0.0002 Å |
b | 24.418 ± 0.0006 Å |
c | 9.191 ± 0.0002 Å |
α | 90° |
β | 104.387 ± 0.001° |
γ | 90° |
Cell volume | 1420.04 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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