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Information card for entry 1503745
Preview
Coordinates | 1503745.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H32 N4 O3 |
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Calculated formula | C35 H32 N4 O3 |
SMILES | O1C2=NC(=C[C@@H]([C@@]2(N=C1[C@@H](NCc1ccc(N(=O)=O)cc1)C(C)C)c1ccccc1)c1ccccc1)c1ccccc1.O1C2=NC(=C[C@H]([C@]2(N=C1[C@H](NCc1ccc(N(=O)=O)cc1)C(C)C)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | A novel three-component reaction toward dihydrooxazolopyridines. |
Authors of publication | Scheffelaar, Rachel; Paravidino, Monica; Muilwijk, Daan; Lutz, Martin; Spek, Anthony L.; de Kanter, Frans J. J.; Orru, Romano V. A.; Ruijter, Eelco |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 125 - 128 |
a | 6.2462 ± 0.0001 Å |
b | 10.9131 ± 0.0003 Å |
c | 21.5977 ± 0.0006 Å |
α | 89.2207 ± 0.0011° |
β | 85.5827 ± 0.0013° |
γ | 81.5275 ± 0.0013° |
Cell volume | 1451.82 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0924 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/1503745.html
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Users of the data should acknowledge the original authors of the
structural data.