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Information card for entry 4029081
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Coordinates | 4029081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H44 Br2 O16 |
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Calculated formula | C44 H44 Br2 O16 |
Title of publication | Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B. |
Authors of publication | Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 1 |
Pages of publication | 88 - 105 |
a | 11.72 ± 0.0014 Å |
b | 11.9056 ± 0.0015 Å |
c | 16.424 ± 0.002 Å |
α | 87.568 ± 0.002° |
β | 75.432 ± 0.002° |
γ | 71.159 ± 0.002° |
Cell volume | 2097.3 ± 0.4 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 | 0.2108 |
Residual factor for significantly intense reflections | 0.0913 |
Weighted residual factors for significantly intense reflections | 0.2081 |
Weighted residual factors for all reflections included in the refinement | 0.2398 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
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/4029081.html
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