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Information card for entry 4029657
Preview
Coordinates | 4029657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 N O4 |
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Calculated formula | C17 H21 N O4 |
SMILES | N(=O)(=O)c1ccc(C(=O)O[C@H]2[C@H]([C@]3(CC[C@@]2(C3)C)C)C)cc1.N(=O)(=O)c1ccc(C(=O)O[C@@H]2[C@@H]([C@@]3(CC[C@]2(C3)C)C)C)cc1 |
Title of publication | Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration. |
Authors of publication | Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 14 |
Pages of publication | 6726 - 6731 |
a | 6.082 ± 0.003 Å |
b | 11.612 ± 0.005 Å |
c | 12.591 ± 0.005 Å |
α | 66.576 ± 0.004° |
β | 79.752 ± 0.004° |
γ | 88.139 ± 0.004° |
Cell volume | 802.2 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1386 |
Weighted residual factors for all reflections included in the refinement | 0.1487 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4029657.html
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Users of the data should acknowledge the original authors of the
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