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Information card for entry 1506617
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506617.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H21 N O5 S |
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Calculated formula | C20 H21 N O5 S |
SMILES | S(=O)(=O)(N1CC=C(C1c1ccccc1O)C(=O)OCC)c1ccc(cc1)C |
Title of publication | DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. |
Authors of publication | Shi, Yong-Ling; Shi, Min |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 14 |
Pages of publication | 3057 - 3060 |
a | 15.9518 ± 0.0012 Å |
b | 12.6973 ± 0.0009 Å |
c | 19.0989 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3868.4 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/1506617.html
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Users of the data should acknowledge the original authors of the
structural data.