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Information card for entry 4032464
Preview
Coordinates | 4032464.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H11 N O2 |
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Calculated formula | C14 H11 N O2 |
SMILES | O=Cc1cc2c([nH]c3cc(OC)ccc23)cc1 |
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 | 7.1367 ± 0.0001 Å |
b | 13.239 ± 0.0001 Å |
c | 22.5108 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2126.88 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for all reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.0576 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
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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