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Information card for entry 4032518
Preview
Coordinates | 4032518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H29 N O4 |
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Calculated formula | C17 H29 N O4 |
Title of publication | Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin. |
Authors of publication | Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 12 |
Pages of publication | 6210 - 6222 |
a | 5.65117 ± 0.00009 Å |
b | 11.07138 ± 0.00012 Å |
c | 29.0073 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1814.88 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0617 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1487 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032518.html
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Users of the data should acknowledge the original authors of the
structural data.