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Information card for entry 1504638
Preview
Coordinates | 1504638.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 I2 O6 |
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Calculated formula | C22 H28 I2 O6 |
SMILES | IC1=C[C@@H](OC(=O)C)[C@@H]([C@H](C1=O)[C@H]1C(=O)C(=C[C@@H](OC(=O)C)[C@@H]1CCC)I)CCC |
Title of publication | Stereocontrolled assembly of the C3/C3' dideoxy core of lomaiviticin A/B and congeners. |
Authors of publication | Zhang, Weidong; Baranczak, Aleksandra; Sulikowski, Gary A. |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 10 |
Pages of publication | 1939 - 1941 |
a | 12.519 ± 0.002 Å |
b | 10.3339 ± 0.0017 Å |
c | 19.227 ± 0.003 Å |
α | 90° |
β | 94.307 ± 0.009° |
γ | 90° |
Cell volume | 2480.4 ± 0.7 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0394 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/1504638.html
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Users of the data should acknowledge the original authors of the
structural data.