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Information card for entry 1504286
Preview
Coordinates | 1504286.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H20 O6 |
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Calculated formula | C16 H20 O6 |
SMILES | [C@H]1([C@@H]2[C@H]([C@H](C)O1)OC(=O)C2)c1c(cc(cc1OC)OC)OC |
Title of publication | Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones. |
Authors of publication | Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 23 |
Pages of publication | 5466 - 5469 |
a | 9.3413 ± 0.0003 Å |
b | 10.0343 ± 0.0002 Å |
c | 16.9972 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1593.21 ± 0.07 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1145 |
Weighted residual factors for all reflections included in the refinement | 0.1365 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.766 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504286.html
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