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Information card for entry 4032001
Preview
Coordinates | 4032001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H26 N2 O9 |
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Calculated formula | C29 H26 N2 O9 |
SMILES | O([C@]12N[C@@]2([C@H](c2ccc(N(=O)=O)cc2)C2=C(O1)C(=O)c1c(C2=O)cccc1)C(=O)OCC)C(=O)C1CCCCC1.O([C@@]12N[C@]2([C@@H](c2ccc(N(=O)=O)cc2)C2=C(O1)C(=O)c1c(C2=O)cccc1)C(=O)OCC)C(=O)C1CCCCC1 |
Title of publication | Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations. |
Authors of publication | Mukherjee, Prasun; Das, Asish R. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5513 - 5524 |
a | 12.2536 ± 0.0007 Å |
b | 11.1077 ± 0.0006 Å |
c | 19.8629 ± 0.0012 Å |
α | 90° |
β | 96.9 ± 0.002° |
γ | 90° |
Cell volume | 2683.9 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1762 |
Weighted residual factors for all reflections included in the refinement | 0.2192 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
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/4032001.html
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