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Information card for entry 4030592
Preview
Coordinates | 4030592.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H18 O6 S |
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Calculated formula | C17 H18 O6 S |
SMILES | S(=O)(=O)(C1=C[C@@]2(OC)CCC(=O)[C@@]2(CO)CC1=O)c1ccccc1 |
Title of publication | Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation. |
Authors of publication | Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 3 |
Pages of publication | 1735 - 1745 |
a | 12.68 ± 0.02 Å |
b | 19.14 ± 0.03 Å |
c | 6.208 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1507 ± 4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.2489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178484 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05. |
4030592.cif |
132947 | 2015-03-04 | cif/ Updating files of 4030592, 4030593 Original log message: Adding full bibliography for 4030592--4030593.cif. |
4030592.cif |
130771 | 2015-02-04 | cif/ Adding structures of 4030592 via cif-deposit CGI script. |
4030592.cif |
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Users of the data should acknowledge the original authors of the
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