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Information card for entry 4029170
Preview
Coordinates | 4029170.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H17 N O6 |
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Calculated formula | C11 H17 N O6 |
SMILES | O1[C@]2(N([C@@H]([C@@H]1C)C(=O)OC)C(=O)O[C@@]2(OC)C)C |
Title of publication | Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals. |
Authors of publication | Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2556 - 2563 |
a | 6.5512 ± 0.0005 Å |
b | 10.8875 ± 0.0012 Å |
c | 9.1118 ± 0.0008 Å |
α | 90° |
β | 105.048 ± 0.005° |
γ | 90° |
Cell volume | 627.62 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0579 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/4029170.html
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