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Information card for entry 7110828
Preview
Coordinates | 7110828.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 O7 |
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Calculated formula | C23 H26 O7 |
SMILES | O=C(O[C@H]1C(=O)O[C@@H](C(=O)CC=CC1)[C@H]1OC2(OC1)CCCCC2)c1ccccc1 |
Title of publication | The vitamin C route to the ciguatoxins: enantioselective synthesis of a ring F building block |
Authors of publication | Bond, Silas; Perlmutter, Patrick |
Journal of publication | Chemical Communications |
Year of publication | 2000 |
Journal issue | 7 |
Pages of publication | 567 |
a | 10.1336 ± 0.0002 Å |
b | 9.5207 ± 0.0002 Å |
c | 11.1957 ± 0.0002 Å |
α | 90° |
β | 104.75 ± 0.001° |
γ | 90° |
Cell volume | 1044.55 ± 0.04 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180222 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08. |
7110828.cif |
95947 | 2014-01-28 | cif/ Adding structures of 7110827, 7110828 via cif-deposit CGI script. |
7110828.cif |
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Users of the data should acknowledge the original authors of the
structural data.