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Information card for entry 7112068
Preview
Coordinates | 7112068.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H17 N3 O5 |
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Calculated formula | C18 H17 N3 O5 |
SMILES | c1(cc(ccc1)[C@@H]1[C@@H](c2cc(ccc2)N(=O)=O)N2CCC[C@@H]2O1)N(=O)=O.c1(cc(ccc1)[C@H]1[C@H](c2cc(ccc2)N(=O)=O)N2CCC[C@H]2O1)N(=O)=O |
Title of publication | Functionalization of an sp^3^ C-H bond via a redox-neutral domino reaction: diastereoselective synthesis of hexahydropyrrolo[2,1-b]oxazoles |
Authors of publication | Matiur Rahman; Avik Kumar Bagdi; Subhajit Mishra; Alakananda Hajra |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 2951 |
a | 28.429 ± 0.003 Å |
b | 8.512 ± 0.0007 Å |
c | 15.7378 ± 0.0013 Å |
α | 90° |
β | 117.577 ± 0.004° |
γ | 90° |
Cell volume | 3375.7 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0951 |
Weighted residual factors for significantly intense reflections | 0.2909 |
Weighted residual factors for all reflections included in the refinement | 0.3089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/7112068.html
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