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Information card for entry 1570216
Preview
Coordinates | 1570216.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 Br O3 P S |
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Calculated formula | C20 H16 Br O3 P S |
SMILES | Brc1ccc(/C=C/SP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |
Title of publication | Gold-catalyzed alkenylation and arylation of phosphorothioates. |
Authors of publication | Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 45 |
Pages of publication | 13134 - 13139 |
a | 6.1164 ± 0.0002 Å |
b | 8.8641 ± 0.0003 Å |
c | 34.4839 ± 0.0011 Å |
α | 90° |
β | 90.615 ± 0.001° |
γ | 90° |
Cell volume | 1869.48 ± 0.11 Å3 |
Cell temperature | 140 K |
Ambient diffraction temperature | 140 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1944 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.873 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288769 (current) | 2024-01-06 | cif/ Updating files of 1570215, 1570216 Original log message: Adding full bibliography for 1570215--1570216.cif. |
1570216.cif |
287168 | 2023-10-31 | cif/ Adding structures of 1570215, 1570216 via cif-deposit CGI script. |
1570216.cif |
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