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Information card for entry 4102420
Preview
Coordinates | 4102420.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H46 O7 |
---|---|
Calculated formula | C32 H46 O7 |
SMILES | O([C@@H]1[C@H](C(=C)C)CC[C@@H]1[C@@H]1CC[C@@H]2C1=C[C@]1([C@]3(CC[C@@H]1[C@@]1(CC[C@@H](C(O)(C)C)[C@@H]1O)[C@@H]3O)[C@H]2O)C=O)C(=O)C |
Title of publication | Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B |
Authors of publication | K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 7153 - 7176 |
a | 8.0392 ± 0.0016 Å |
b | 12.061 ± 0.002 Å |
c | 31.538 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3057.9 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0734 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.1444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/4102420.html
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Users of the data should acknowledge the original authors of the
structural data.