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Information card for entry 4112549
Preview
Coordinates | 4112549.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H26 Cl N O4 |
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Calculated formula | C16 H26 Cl N O4 |
SMILES | Cl[C@@H]1C[C@H]2N([C@@H](CC[C@H]2CC1)C(=O)OC)C(=O)OC(C)(C)C |
Title of publication | The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin |
Authors of publication | Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 6064 - 6071 |
a | 6.593 ± 0.002 Å |
b | 7.093 ± 0.002 Å |
c | 18.765 ± 0.005 Å |
α | 90° |
β | 91.36 ± 0.02° |
γ | 90° |
Cell volume | 877.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0593 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4112549.html
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