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Information card for entry 1517485
Preview
Coordinates | 1517485.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2R*,3aR*,4'S*,5'S*,6aS*,E)-4'-hydroxy-5'-((R*)-3-hydroxybutyl)- 4-((R*)-5-methyldihydrofuran-2(3H)-ylidene)hexahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5(3H)-one |
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Formula | C19 H28 O6 |
Calculated formula | C19 H28 O6 |
SMILES | C[C@@H](O)CC[C@@H]1O[C@@]2(O[C@H]3CC(=O)C(=C4\O[C@H](C)CC4)\[C@H]3C2)C[C@@H]1O |
Title of publication | Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954. |
Authors of publication | Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 4695 - 4697 |
a | 5.5715 ± 0.0011 Å |
b | 8.068 ± 0.0016 Å |
c | 20.262 ± 0.004 Å |
α | 90° |
β | 92.513 ± 0.002° |
γ | 90° |
Cell volume | 909.9 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0305 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.263 |
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/1517485.html
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