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Information card for entry 1508625
Preview
Coordinates | 1508625.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 N O7 |
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Calculated formula | C23 H25 N O7 |
SMILES | O1CC[C@@]23O[C@H]4[C@]5(OC(=O)N([C@H]5CC(=O)[C@H]4[C@@H]2CC(=O)C[C@@H]13)c1ccccc1)CCO.O1CC[C@]23O[C@@H]4[C@@]5(OC(=O)N([C@@H]5CC(=O)[C@@H]4[C@H]2CC(=O)C[C@H]13)c1ccccc1)CCO |
Title of publication | Total synthesis of incarviditone and incarvilleatone. |
Authors of publication | Brown, Patrick D.; Willis, Anthony C.; Sherburn, Michael S.; Lawrence, Andrew L. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 17 |
Pages of publication | 4537 - 4539 |
a | 10.4946 ± 0.0002 Å |
b | 17.9138 ± 0.0004 Å |
c | 10.7033 ± 0.0002 Å |
α | 90° |
β | 94.2147 ± 0.0012° |
γ | 90° |
Cell volume | 2006.76 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections | 0.1352 |
Weighted residual factors for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections included in the refinement | 0.1352 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9764 |
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/1508625.html
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Users of the data should acknowledge the original authors of the
structural data.