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Information card for entry 4031912
Preview
Coordinates | 4031912.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H28 O6 |
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Calculated formula | C27 H28 O6 |
SMILES | CCOC(=O)C(C1c2cc(c(cc2c2cc3c(c(c12)C)cccc3)OC)OC)C(=O)OCC |
Title of publication | Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes. |
Authors of publication | Akbar, Sikkandarkani; Srinivasan, Kannupal |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 3 |
Pages of publication | 1229 - 1236 |
a | 8.9759 ± 0.0002 Å |
b | 9.7135 ± 0.0002 Å |
c | 14.17 ± 0.0003 Å |
α | 98.454 ± 0.001° |
β | 105.814 ± 0.001° |
γ | 91.27 ± 0.001° |
Cell volume | 1173.25 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0725 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1138 |
Weighted residual factors for all reflections included in the refinement | 0.1327 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
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/4031912.html
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Users of the data should acknowledge the original authors of the
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