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Information card for entry 1556254
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1556254.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H30 O3 Si2 |
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Calculated formula | C16 H30 O3 Si2 |
SMILES | [C@H]1(C[C@@H](O[Si](C)(C(C)(C)C)C)CC(=O)O1)C#C[Si](C)(C)C.[C@@H]1(C[C@H](O[Si](C)(C(C)(C)C)C)CC(=O)O1)C#C[Si](C)(C)C |
Title of publication | Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole. |
Authors of publication | Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A. |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 5 |
Pages of publication | 1450 - 1453 |
a | 30.9982 ± 0.0004 Å |
b | 11.381 ± 0.0001 Å |
c | 11.1291 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3926.24 ± 0.07 Å3 |
Cell temperature | 130 ± 0.1 K |
Ambient diffraction temperature | 130 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/1556254.html
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Users of the data should acknowledge the original authors of the
structural data.