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Information card for entry 4030585
Preview
Coordinates | 4030585.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 F2 O3 S |
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Calculated formula | C16 H14 F2 O3 S |
SMILES | C1(=O)O[C@](O)([C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12)C(F)(F)Sc1ccccc1.C1(=O)O[C@@](O)([C@H]2[C@H]3C=C[C@H](C3)[C@@H]12)C(F)(F)Sc1ccccc1 |
Title of publication | Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds. |
Authors of publication | Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 3 |
Pages of publication | 1577 - 1592 |
a | 6.6313 ± 0.001 Å |
b | 10.6643 ± 0.0017 Å |
c | 21.166 ± 0.003 Å |
α | 90° |
β | 90.379 ± 0.003° |
γ | 90° |
Cell volume | 1496.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0936 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.1598 |
Weighted residual factors for all reflections included in the refinement | 0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030585.html
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Users of the data should acknowledge the original authors of the
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