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Information card for entry 4032417
Preview
Coordinates | 4032417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 N O |
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Calculated formula | C14 H13 N O |
SMILES | [nH]1c2cccc(OC)c2c2cc(ccc12)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 | 11.4714 ± 0.0017 Å |
b | 5.613 ± 0.0006 Å |
c | 16.915 ± 0.002 Å |
α | 90° |
β | 95.648 ± 0.012° |
γ | 90° |
Cell volume | 1083.9 ± 0.2 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections | 0.1638 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.1638 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9998 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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