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Information card for entry 1518072
Preview
Coordinates | 1518072.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 O2 |
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Calculated formula | C26 H24 O2 |
SMILES | O1c2c([C@H]3[C@@H](c4c(OCCC1)cccc4)C=C(c1ccccc1)C3)cccc2 |
Title of publication | A novel intramolecular homoenolate annulation leading to the formation of cyclopentene-fused macrocycles. |
Authors of publication | Seetha Lakshmi, K. C.; Sinu, C. R.; Padmaja, D. V. M.; Gopinathan, Anilkumar; Suresh, Eringathodi; Nair, Vijay |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 5532 - 5535 |
a | 12.3878 ± 0.0011 Å |
b | 9.8635 ± 0.0009 Å |
c | 16.296 ± 0.0014 Å |
α | 90° |
β | 100.385 ± 0.001° |
γ | 90° |
Cell volume | 1958.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0557 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/1518072.html
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