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Information card for entry 7150127
Preview
Coordinates | 7150127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H25 B F4 O3 S |
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Calculated formula | C17 H25 B F4 O3 S |
SMILES | [C@@H]12CC[C@@H](C1)[C@H]([C@]13C(=O)C[C@H](CC1)C3(C)C)[S+]2CC(=O)O.[B](F)(F)(F)[F-] |
Title of publication | Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications. |
Authors of publication | Aggarwal, Varinder K.; Hebach, Christina |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2005 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1419 - 1427 |
a | 6.7991 ± 0.0003 Å |
b | 14.3737 ± 0.0007 Å |
c | 18.467 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1804.75 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0319 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/7150127.html
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