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Information card for entry 4037714
Preview
Coordinates | 4037714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 O |
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Calculated formula | C18 H20 O |
SMILES | O=C1[C@]2([C@@H]3C[C@H]([C@H]2[C@H]2[C@@H]1[C@H]1C[C@@H]2C=C1)C=C3)CC=C |
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 | 6.576 ± 0.0002 Å |
b | 10.0588 ± 0.0003 Å |
c | 10.2181 ± 0.0004 Å |
α | 90° |
β | 98.527 ± 0.003° |
γ | 90° |
Cell volume | 668.42 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0922 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/4037714.html
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