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Information card for entry 4030307
Preview
Coordinates | 4030307.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H39 F3 N6 O11 S2 |
---|---|
Calculated formula | C42 H39 F3 N6 O11 S2 |
SMILES | S(=O)(=O)(n1cc2CCN([C@H](c3cc(cc1c23)[C@]1(CCNC1=O)c1ccccc1NS(=O)(=O)c1c(N(=O)=O)cccc1)C=C(C)C)C(=O)C(F)(F)F)c1ccccc1N(=O)=O.O=C(C)C.S(=O)(=O)(n1cc2CCN([C@@H](c3cc(cc1c23)[C@@]1(CCNC1=O)c1ccccc1NS(=O)(=O)c1c(N(=O)=O)cccc1)C=C(C)C)C(=O)C(F)(F)F)c1ccccc1N(=O)=O.O=C(C)C |
Title of publication | Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. |
Authors of publication | Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 528 |
a | 17.6754 ± 0.0007 Å |
b | 11.5184 ± 0.0005 Å |
c | 22.3282 ± 0.0009 Å |
α | 90° |
β | 110.488 ± 0.002° |
γ | 90° |
Cell volume | 4258.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0994 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1142 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.647 |
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/4030307.html
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structural data.