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Information card for entry 4037715
Preview
Coordinates | 4037715.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 O2 |
---|---|
Calculated formula | C20 H26 O2 |
SMILES | O[C@]12C[C@@H]3O[C@@H]3[C@H]3[C@@H]1[C@@H]([C@H]1[C@H](C=C)C[C@H](C=C)[C@@H]21)[C@@H](C=C)C3.O[C@@]12C[C@H]3O[C@H]3[C@@H]3[C@H]1[C@H]([C@@H]1[C@@H](C=C)C[C@@H](C=C)[C@H]21)[C@H](C=C)C3 |
Title of publication | Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin. |
Authors of publication | Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 9.4293 ± 0.0016 Å |
b | 10.2165 ± 0.0015 Å |
c | 17.616 ± 0.002 Å |
α | 90° |
β | 100.763 ± 0.015° |
γ | 90° |
Cell volume | 1667.2 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1545 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1486 |
Weighted residual factors for all reflections included in the refinement | 0.2022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
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/4037715.html
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Users of the data should acknowledge the original authors of the
structural data.