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Information card for entry 1505311
Preview
Coordinates | 1505311.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | 4-hydroxy-4-[(1-phenylthio)cyclopropyl]-2-butanone |
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Formula | C13 H16 O2 S |
Calculated formula | C13 H16 O2 S |
SMILES | S(c1ccccc1)C1(CC1)[C@@H](CC(=O)C)O |
Title of publication | l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones. |
Authors of publication | Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 3 |
Pages of publication | 541 - 544 |
a | 9.2379 ± 0.0006 Å |
b | 9.1401 ± 0.0006 Å |
c | 14.956 ± 0.0009 Å |
α | 90° |
β | 102.026 ± 0.001° |
γ | 90° |
Cell volume | 1235.1 ± 0.14 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections included in the refinement | 0.0749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
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/1505311.html
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