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Information card for entry 1502265
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Coordinates | 1502265.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 10154 |
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Formula | C19 H20 Br N O5 |
Calculated formula | C19 H20 Br N O5 |
SMILES | Brc1ccc(C(=O)N[C@]2([C@@H]3CC(=O)C(=C(OC)[C@@]3(OC2=O)C)C)C)cc1.Brc1ccc(C(=O)N[C@@]2([C@H]3CC(=O)C(=C(OC)[C@]3(OC2=O)C)C)C)cc1 |
Title of publication | A concise synthetic approach to the sorbicillactones: total synthesis of sorbicillactone A and 9-epi-sorbicillactone A. |
Authors of publication | Volp, Kelly A.; Johnson, Diane M.; Harned, Andrew M. |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 4486 - 4489 |
a | 7.2726 ± 0.0013 Å |
b | 11.545 ± 0.002 Å |
c | 11.673 ± 0.002 Å |
α | 101.193 ± 0.002° |
β | 98.439 ± 0.002° |
γ | 101.886 ± 0.002° |
Cell volume | 922.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0861 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/1502265.html
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