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Information card for entry 4102417
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4102417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H45 N O3 Si |
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Calculated formula | C27 H45 N O3 Si |
SMILES | [Si](OC[C@@]12[C@@H]3OC(O[C@@H]4[C@@]3([C@@H]([C@@H]1C=C)CC2)CC[C@H]4C#N)(C)C)(C(C)C)(C(C)C)C(C)C.[Si](OC[C@]12[C@H]3OC(O[C@H]4[C@]3([C@H]([C@H]1C=C)CC2)CC[C@@H]4C#N)(C)C)(C(C)C)(C(C)C)C(C)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 | 7.968 ± 0.0016 Å |
b | 11.498 ± 0.002 Å |
c | 15.381 ± 0.003 Å |
α | 103.76 ± 0.03° |
β | 97.93 ± 0.03° |
γ | 97.76 ± 0.03° |
Cell volume | 1334.8 ± 0.5 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1034 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.174 |
Weighted residual factors for all reflections included in the refinement | 0.1884 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
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/4102417.html
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Users of the data should acknowledge the original authors of the
structural data.