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Information card for entry 1555417
Preview
Coordinates | 1555417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 O7 |
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Calculated formula | C15 H18 O7 |
SMILES | O[C@]12[C@@H]3O[C@@]4(O)[C@@]5([C@H](C)CC[C@@]5(OC4=O)[C@]2(C)COC1=O)C3 |
Title of publication | Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans. |
Authors of publication | Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 21 |
Pages of publication | 5480 - 5483 |
a | 7.187 ± 0.0004 Å |
b | 8.7702 ± 0.0004 Å |
c | 11.015 ± 0.0006 Å |
α | 90° |
β | 98.176 ± 0.005° |
γ | 90° |
Cell volume | 687.23 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0288 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/1555417.html
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Users of the data should acknowledge the original authors of the
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