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Information card for entry 4027019
Preview
Coordinates | 4027019.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H35 N O8 |
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Calculated formula | C23 H35 N O8 |
SMILES | O(C(C)(C)C)C(=O)[C@@H]1ON2OC[C@@H]3[C@@]2(C1)[C@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1.O(C(C)(C)C)C(=O)[C@H]1ON2OC[C@H]3[C@]2(C1)[C@@H](C(C3)(C(=O)OC)C(=O)OC)C1CCCCC1 |
Title of publication | Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds |
Authors of publication | Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 2236 - 2245 |
a | 8.3584 ± 0.001 Å |
b | 10.8267 ± 0.0014 Å |
c | 14.0001 ± 0.0018 Å |
α | 69.264 ± 0.003° |
β | 85.675 ± 0.003° |
γ | 82.217 ± 0.003° |
Cell volume | 1173.4 ± 0.3 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 significantly intense reflections | 0.0552 |
Weighted residual factors for all reflections included in the refinement | 0.1696 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 0.71075 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/4027019.html
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