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Information card for entry 4028441
Preview
Coordinates | 4028441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 I O3 |
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Calculated formula | C23 H25 I O3 |
Title of publication | Synthesis of Stachybotrin C and All of Its Stereoisomers: Structure Revision |
Authors of publication | Maiwenn Jacolot; Mickael Jean; Naresh Tumma; Arnaud Bondon; Srivari Chandrasekhar; Pierre van de Weghe |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 7169 - 7175 |
a | 5.7853 ± 0.0002 Å |
b | 12.5191 ± 0.0004 Å |
c | 15.3075 ± 0.0005 Å |
α | 78.699 ± 0.001° |
β | 88.466 ± 0.001° |
γ | 84.409 ± 0.001° |
Cell volume | 1081.97 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.127 |
Residual factor for significantly intense reflections | 0.0691 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4028441.html
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Users of the data should acknowledge the original authors of the
structural data.