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Information card for entry 4032418
Preview
Coordinates | 4032418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H17 N O3 |
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Calculated formula | C14 H17 N O3 |
SMILES | N1=C2[C@@](OO)(c3c1cc(OC)cc3)C[C@H](CC2)C.N1=C2[C@](OO)(c3c1cc(OC)cc3)C[C@@H](CC2)C |
Title of publication | A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A. |
Authors of publication | Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 8 |
Pages of publication | 4148 - 4159 |
a | 14.6135 ± 0.0002 Å |
b | 5.8504 ± 0.0001 Å |
c | 14.6942 ± 0.0002 Å |
α | 90° |
β | 96.2796 ± 0.0015° |
γ | 90° |
Cell volume | 1248.74 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for all reflections | 0.0977 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 1.54184 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/4032418.html
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