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Information card for entry 1503301
Preview
Coordinates | 1503301.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H21 F2 N O3 |
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Calculated formula | C25 H21 F2 N O3 |
SMILES | C1(=C([C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2C1)c1ccccc1)C(C(=O)Nc1ccc(cc1)OC)(F)F.C1(=C([C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1)c1ccccc1)C(C(=O)Nc1ccc(cc1)OC)(F)F |
Title of publication | Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes. |
Authors of publication | Kizirian, Jean-Claude; Aiguabella, Nuria; Pesquer, Albert; Fustero, Santos; Bello, Paula; Verdaguer, Xavier; Riera, Antoni |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 24 |
Pages of publication | 5620 - 5623 |
a | 9.643 ± 0.0015 Å |
b | 9.7878 ± 0.0015 Å |
c | 11.8868 ± 0.0018 Å |
α | 69.786 ± 0.004° |
β | 75.641 ± 0.004° |
γ | 71.826 ± 0.005° |
Cell volume | 987.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.055 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1228 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1503301.html
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Users of the data should acknowledge the original authors of the
structural data.