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Information card for entry 4036437
Preview
Coordinates | 4036437.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H22 N2 O5 |
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Calculated formula | C27 H22 N2 O5 |
SMILES | O=C1N([C@@H]2C(=O)N3[C@@H](c4ccccc4)COC(=O)[C@H]23)C(=O)c2c1cccc2.c1ccc(cc1)C |
Title of publication | Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction. |
Authors of publication | Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 24 |
Pages of publication | 12038 - 12046 |
a | 13.0454 ± 0.0003 Å |
b | 5.641 ± 0.0001 Å |
c | 15.4322 ± 0.0003 Å |
α | 90° |
β | 94.035 ± 0.001° |
γ | 90° |
Cell volume | 1132.83 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.926 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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