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Information card for entry 4028434
Preview
Coordinates | 4028434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 O3 |
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Calculated formula | C14 H18 O3 |
SMILES | [C@H]12C=C[C@@H]3OC(O[C@@H]3[C@@]31CCCC(=O)[C@H]23)(C)C |
Title of publication | Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems |
Authors of publication | Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 7100 - 7111 |
a | 8.6862 ± 0.0001 Å |
b | 11.1107 ± 0.0002 Å |
c | 26.1274 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2521.55 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0429 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for all reflections | 0.0901 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9581 |
Diffraction radiation wavelength | 0.71073 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/4028434.html
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