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Information card for entry 1507312
Preview
Coordinates | 1507312.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H28 O4 |
---|---|
Calculated formula | C18 H28 O4 |
SMILES | O=C1[C@H]2[C@@H](OC)[C@@H]3[C@H](CC[C@]2(CC1)C)CCC[C@@H]3C(=O)OC.O=C1[C@@H]2[C@H](OC)[C@H]3[C@@H](CC[C@@]2(CC1)C)CCC[C@H]3C(=O)OC |
Title of publication | Synthesis of the [5-7-6] tricyclic core of guanacastepene A via an intramolecular Mukaiyama aldol reaction. |
Authors of publication | Du, Xiaohui; Chu, Hiufung V.; Kwon, Ohyun |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 11 |
Pages of publication | 1923 - 1926 |
a | 5.9749 ± 0.0004 Å |
b | 9.9112 ± 0.0006 Å |
c | 27.8315 ± 0.0018 Å |
α | 90° |
β | 94.507 ± 0.001° |
γ | 90° |
Cell volume | 1643.04 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/1507312.html
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