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Information card for entry 7113435
Preview
Coordinates | 7113435.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H45 N O Si |
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Calculated formula | C30 H45 N O Si |
SMILES | [Si](n1c2[C@@]3(CC[C@H]4[C@@]([C@@H](O)CC[C@@]4([C@H]3Cc2c2ccccc12)C)(C=C)C)C)(C)(C)C(C)(C)C |
Title of publication | Exploration of the biomimetic synthesis of indole-diterpene mycotoxins: an unexpected cascade reaction during the attempted synthesis of emindole SB |
Authors of publication | Stephen Clark, J.; Myatt, James; Wilson, Claire; Roberts, Lee; Walshe, Nigel |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 13 |
Pages of publication | 1546 - 1547 |
a | 11.1741 ± 0.0004 Å |
b | 11.1741 ± 0.0004 Å |
c | 75.735 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 8189.4 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 179 |
Hermann-Mauguin space group symbol | P 65 2 2 |
Hall space group symbol | P 65 2 (0 0 1) |
Residual factor for all reflections | 0.1238 |
Residual factor for significantly intense reflections | 0.0906 |
Weighted residual factors for significantly intense reflections | 0.2428 |
Weighted residual factors for all reflections included in the refinement | 0.2628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7103718 |
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/7113435.html
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Users of the data should acknowledge the original authors of the
structural data.