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Information card for entry 4032866
Preview
Coordinates | 4032866.cif |
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Original paper (by DOI) | HTML |
Common name | (1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one |
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Formula | C13 H13 Br O4 |
Calculated formula | C13 H13 Br O4 |
SMILES | [C@@]12([C@H]([C@H]([C@@H](c3ccccc13)O)Br)O)OC(=O)CC2 |
Title of publication | Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives. |
Authors of publication | Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 22 |
Pages of publication | 11946 - 11953 |
a | 9.1169 ± 0.0019 Å |
b | 10.066 ± 0.002 Å |
c | 13.129 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1204.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0199 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0456 |
Weighted residual factors for all reflections included in the refinement | 0.0458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4032866.html
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Users of the data should acknowledge the original authors of the
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