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Information card for entry 4118941
Preview
Coordinates | 4118941.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H10 N O2 P |
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Calculated formula | C13 H10 N O2 P |
SMILES | [P@]1(=O)(NC(=O)c2c1cccc2)c1ccccc1 |
Title of publication | Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction |
Authors of publication | Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 19504 - 19507 |
a | 16.825 ± 0.003 Å |
b | 8.4463 ± 0.0015 Å |
c | 8.3432 ± 0.0014 Å |
α | 90° |
β | 97.942 ± 0.004° |
γ | 90° |
Cell volume | 1174.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 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/4118941.html
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