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Information card for entry 1505416
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Coordinates | 1505416.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cmc0546b |
---|---|
Formula | C20 H30 N2 O3 |
Calculated formula | C20 H30 N2 O3 |
SMILES | OC[C@H]([C@H]1CC[C@@H]([C@H](O1)N1[C@@H](c2ccccc2)[C@H](N(C1=O)C)C)C)C |
Title of publication | A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation. |
Authors of publication | Song, Zhenlei; Hsung, Richard P. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 2199 - 2202 |
a | 6.0607 ± 0.0008 Å |
b | 15.52 ± 0.002 Å |
c | 20.018 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1882.9 ± 0.4 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 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 | 0.0463 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.49594 Å |
Diffraction radiation type | synchrotron |
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/1505416.html
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