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Information card for entry 4114887
Preview
Coordinates | 4114887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O4 |
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Calculated formula | C15 H24 O4 |
SMILES | C1(=O)CCCC=C[C@H]2[C@@H]([C@@H](CCC)O1)OC(C)(C)O2 |
Title of publication | Total Syntheses of the Phytotoxic Lactones Herbarumin I and II and a Synthesis-Based Solution of the Pinolidoxin Puzzle |
Authors of publication | Alois Fürstner; Karin Radkowski; Conny Wirtz; Richard Goddard; Christian W. Lehmann; Richard Mynott |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 7061 - 7069 |
a | 6.7055 ± 0.0003 Å |
b | 8.2104 ± 0.0003 Å |
c | 13.4884 ± 0.0006 Å |
α | 90° |
β | 101.287 ± 0.002° |
γ | 90° |
Cell volume | 728.24 ± 0.05 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.11 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.1666 |
Weighted residual factors for all reflections included in the refinement | 0.1901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4114887.html
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Users of the data should acknowledge the original authors of the
structural data.