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Information card for entry 4025274
Preview
Coordinates | 4025274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 N2 O |
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Calculated formula | C25 H20 N2 O |
SMILES | O=C1NC(=C[C@H]([C@]1([N]#[C])Cc1ccccc1)c1ccccc1)c1ccccc1.O=C1NC(=C[C@@H]([C@@]1([N]#[C])Cc1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones |
Authors of publication | Rachel Scheffelaar; Monica Paravidino; Anass Znabet; Rob F. Schmitz; Frans J. J. de Kanter; Martin Lutz; Anthony L. Spek; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Marinus B. Groen; Eelco Ruijter; Romano V. A. Orru |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 1723 - 1732 |
a | 9.2509 ± 0.0001 Å |
b | 10.0044 ± 0.0001 Å |
c | 11.236 ± 0.0002 Å |
α | 76.1128 ± 0.0005° |
β | 80.0207 ± 0.0005° |
γ | 78.4123 ± 0.0005° |
Cell volume | 980.33 ± 0.02 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 | 0.0593 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4025274.html
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Users of the data should acknowledge the original authors of the
structural data.