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Information card for entry 1506039
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O4 |
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Calculated formula | C19 H20 O4 |
SMILES | O[C@]([C@@H]1C(=O)OCC1)(c1ccccc1)[C@@H](OC)c1ccccc1.O[C@@]([C@H]1C(=O)OCC1)(c1ccccc1)[C@H](OC)c1ccccc1 |
Title of publication | High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation. |
Authors of publication | Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 14 |
Pages of publication | 3029 - 3032 |
a | 9.238 ± 0.002 Å |
b | 13.245 ± 0.002 Å |
c | 13.418 ± 0.002 Å |
α | 90° |
β | 93.79 ± 0.01° |
γ | 90° |
Cell volume | 1638.2 ± 0.5 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1506039.html
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