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Information card for entry 1545444
Preview
Coordinates | 1545444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H21 Br2 N O11 |
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Calculated formula | C29 H21 Br2 N O11 |
Title of publication | A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin. |
Authors of publication | Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 5 |
Pages of publication | 1156 - 1159 |
a | 16.7882 ± 0.0007 Å |
b | 10.054 ± 0.0004 Å |
c | 17.3664 ± 0.0007 Å |
α | 90° |
β | 91.709 ± 0.002° |
γ | 90° |
Cell volume | 2929.9 ± 0.2 Å3 |
Cell temperature | 147 ± 2 K |
Ambient diffraction temperature | 147 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0936 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
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/1545444.html
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structural data.