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Information card for entry 4030288
Preview
Coordinates | 4030288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 Br2 N O |
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Calculated formula | C19 H15 Br2 N O |
SMILES | C(=C\c1c(cccc1)Br)(Cc1c2cc(ccc2[nH]c1)Br)/C(=O)C |
Title of publication | Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid. |
Authors of publication | Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 438 |
a | 9.6427 ± 0.001 Å |
b | 19.228 ± 0.002 Å |
c | 9.9157 ± 0.0011 Å |
α | 90° |
β | 110.877 ± 0.005° |
γ | 90° |
Cell volume | 1717.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0478 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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