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Information card for entry 4028420
Preview
Coordinates | 4028420.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H20 O4 |
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Calculated formula | C12 H20 O4 |
Title of publication | Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka |
Authors of publication | Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 7030 - 7047 |
a | 8.535 ± 0.001 Å |
b | 5.571 ± 0.001 Å |
c | 13.141 ± 0.001 Å |
α | 90° |
β | 91.78 ± 0.001° |
γ | 90° |
Cell volume | 624.53 ± 0.14 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 | 0.0733 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.2167 |
Weighted residual factors for all reflections included in the refinement | 0.223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028420.html
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