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Information card for entry 1507485
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1507485.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H27 N O4 S |
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Calculated formula | C19 H27 N O4 S |
SMILES | S(=O)(=O)(N1CCOC(C1)CC(=O)C1CCCCC1)c1ccc(cc1)C |
Title of publication | Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition. |
Authors of publication | Lu, Cheng; Lu, Xiyan |
Journal of publication | Organic letters |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 26 |
Pages of publication | 4677 - 4679 |
a | 17.4458 ± 0.0017 Å |
b | 14.1729 ± 0.0013 Å |
c | 16.0903 ± 0.0015 Å |
α | 90° |
β | 100.892 ± 0.002° |
γ | 90° |
Cell volume | 3906.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1227 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0912 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507485.html
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Users of the data should acknowledge the original authors of the
structural data.