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Information card for entry 1512306
Preview
Coordinates | 1512306.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H14 Cl O P |
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Calculated formula | C22 H14 Cl O P |
SMILES | Clc1ccc(C#CC2=Cc3c(P2(=O)c2ccccc2)cccc3)cc1 |
Title of publication | Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions. |
Authors of publication | Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 17 |
Pages of publication | 4458 - 4461 |
a | 9.961 ± 0.002 Å |
b | 8.7326 ± 0.0017 Å |
c | 21.055 ± 0.004 Å |
α | 90° |
β | 102.507 ± 0.003° |
γ | 90° |
Cell volume | 1788 ± 0.6 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 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 | 0.0371 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.7107 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/1512306.html
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