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Information card for entry 4029270
Preview
Coordinates | 4029270.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H31 N O5 |
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Calculated formula | C17 H31 N O5 |
SMILES | OCCCC[C@@H]1CC2(OCCO2)C[C@@H](C)N1C(=O)OC(C)(C)C |
Title of publication | Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D. |
Authors of publication | Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 8 |
Pages of publication | 3358 - 3373 |
a | 5.7765 ± 0.0002 Å |
b | 10.9416 ± 0.0004 Å |
c | 14.4434 ± 0.0006 Å |
α | 90° |
β | 93.134 ± 0.002° |
γ | 90° |
Cell volume | 911.52 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0478 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.0923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4029270.html
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