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Information card for entry 1507329
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1507329.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H44 N2 O6 |
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Calculated formula | C33 H44 N2 O6 |
SMILES | N([C@@H]1C[C@H]1C[C@@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
Title of publication | Stereocontrolled synthesis of 3-(trans-2-aminocyclopropyl)alanine, a key component of belactosin A. |
Authors of publication | Armstrong, Alan; Scutt, James N. |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 13 |
Pages of publication | 2331 - 2334 |
a | 11.8756 ± 0.0011 Å |
b | 7.0112 ± 0.0005 Å |
c | 20.7657 ± 0.001 Å |
α | 90° |
β | 104.975 ± 0.005° |
γ | 90° |
Cell volume | 1670.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0572 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1403 |
Weighted residual factors for all reflections included in the refinement | 0.1456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.54178 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/1507329.html
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Users of the data should acknowledge the original authors of the
structural data.