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Information card for entry 1504606
Preview
Coordinates | 1504606.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | JI-1236-1 |
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Formula | C23 H28 N2 O6 |
Calculated formula | C23 H28 N2 O6 |
SMILES | [C@]1(C[C@H](C(=O)N1)OCc1ccccc1)(CO)C(=O)Nc1ccccc1CC(OC)OC.[C@@]1(C[C@@H](C(=O)N1)OCc1ccccc1)(CO)C(=O)Nc1ccccc1CC(OC)OC |
Title of publication | Total synthesis of (+/-)-dysibetaine. |
Authors of publication | Isaacson, Jerry; Loo, Mandy; Kobayashi, Yoshihisa |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 7 |
Pages of publication | 1461 - 1463 |
a | 7.3653 ± 0.0004 Å |
b | 11.5496 ± 0.0007 Å |
c | 13.7255 ± 0.0009 Å |
α | 95.528 ± 0.004° |
β | 90.616 ± 0.004° |
γ | 107.472 ± 0.004° |
Cell volume | 1107.56 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0519 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/1504606.html
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Users of the data should acknowledge the original authors of the
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