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Information card for entry 1505587
Preview
Coordinates | 1505587.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H49 N O5 |
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Calculated formula | C35 H49 N O5 |
SMILES | N1([C@@H]([C@]2(C(C(=O)CC2)(C)C)c2ccccc12)O)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)c1ccccc1)C.CCOCC |
Title of publication | Concise, stereoselective approach to the spirooxindole ring system of citrinadin A. |
Authors of publication | Pettersson, Martin; Knueppel, Daniel; Martin, Stephen F. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 22 |
Pages of publication | 4623 - 4626 |
a | 13.4998 ± 0.0002 Å |
b | 14.643 ± 0.0002 Å |
c | 16.4422 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3250.25 ± 0.09 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/1505587.html
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Users of the data should acknowledge the original authors of the
structural data.