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Information card for entry 1505597
Preview
Coordinates | 1505597.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 Cl2 N O |
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Calculated formula | C15 H17 Cl2 N O |
SMILES | [C@]12([C@@H](CCc3ccccc13)C2(Cl)Cl)N1CCOCC1.[C@@]12([C@H](CCc3ccccc13)C2(Cl)Cl)N1CCOCC1 |
Title of publication | Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles. |
Authors of publication | Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 26 |
Pages of publication | 5421 - 5424 |
a | 15.5984 ± 0.0003 Å |
b | 13.5175 ± 0.0003 Å |
c | 6.6823 ± 0.0001 Å |
α | 90° |
β | 91.9718 ± 0.0014° |
γ | 90° |
Cell volume | 1408.14 ± 0.05 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0209 |
Residual factor for significantly intense reflections | 0.0197 |
Weighted residual factors for all reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.023 |
Weighted residual factors for all reflections included in the refinement | 0.023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0814 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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