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Information card for entry 7045368
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Coordinates | 7045368.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (4-bromophenyl)((1E,5Z)-cycloocta-1,5-dien-1-yl)methanone |
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Formula | C15 H15 Br O |
Calculated formula | C15 H15 Br O |
SMILES | C1=C(CCC=CCC1)C(=O)c1ccc(Br)cc1 |
Title of publication | 1,5-Cyclooctadienyl alcohols and ketones generate a new class of COD Pt complexes. |
Authors of publication | Wandler, Angela E. E.; Koos, Martin R. M.; Nieger, Martin; Luy, Burkhard; Bräse, Stefan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 11 |
Pages of publication | 3689 - 3692 |
a | 7.2898 ± 0.0003 Å |
b | 11.2179 ± 0.0005 Å |
c | 15.9281 ± 0.0006 Å |
α | 90° |
β | 100.977 ± 0.002° |
γ | 90° |
Cell volume | 1278.71 ± 0.09 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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