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Information card for entry 4022925
Preview
Coordinates | 4022925.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 N3 O6 |
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Calculated formula | C20 H19 N3 O6 |
SMILES | O=C(OC)c1c(nn2c1C[C@@H]1C(=O)N(C(=O)[C@@H]1[C@@H]2C)c1ccccc1)C(=O)OC.O=C(OC)c1c(nn2c1C[C@H]1C(=O)N(C(=O)[C@H]1[C@H]2C)c1ccccc1)C(=O)OC |
Title of publication | Chemistry of Diazafulvenium Methides in the Synthesis of Functionalized Pyrazoles |
Authors of publication | Teresa M. V. D. Pinho e Melo; Cláudio M. Nunes; Maria I. L. Soares; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 4406 - 4415 |
a | 10.962 ± 0.005 Å |
b | 9.459 ± 0.004 Å |
c | 19.286 ± 0.003 Å |
α | 90° |
β | 108.524 ± 0.018° |
γ | 90° |
Cell volume | 1896.2 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1498 |
Weighted residual factors for all reflections included in the refinement | 0.1634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4022925.html
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