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Information card for entry 4025178
Preview
Coordinates | 4025178.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 N2 O4 |
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Calculated formula | C26 H22 N2 O4 |
SMILES | C1C=C2C[C@H]3[C@@H](C[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)C(=O)N(C3=O)c1ccccc1.C1C=C2C[C@@H]3[C@H](C[C@@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)C(=O)N(C3=O)c1ccccc1 |
Title of publication | Practical Synthesis and Reactivity of [3]Dendralene |
Authors of publication | Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 491 - 494 |
a | 9.5827 ± 0.0001 Å |
b | 22.2922 ± 0.0003 Å |
c | 10.7623 ± 0.0001 Å |
α | 90° |
β | 107.858 ± 0.0006° |
γ | 90° |
Cell volume | 2188.27 ± 0.04 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0455 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for all reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9395 |
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/4025178.html
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Users of the data should acknowledge the original authors of the
structural data.