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Information card for entry 2006606
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Coordinates | 2006606.cif |
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Original IUCr paper | HTML |
Chemical name | 4-chloro-2-dimethoxyphosphoryl-2H-1-benzopyran |
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Formula | C11 H12 Cl O4 P |
Calculated formula | C11 H12 Cl O4 P |
Title of publication | 2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II) |
Authors of publication | Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Pages of publication | 1514 - 1516 |
a | 7.8864 ± 0.0005 Å |
b | 11.3138 ± 0.001 Å |
c | 7.2675 ± 0.0006 Å |
α | 108.444 ± 0.007° |
β | 92.736 ± 0.007° |
γ | 82.8 ± 0.007° |
Cell volume | 610.26 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0469 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for all reflections | 0.091 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Goodness-of-fit parameter for all reflections | 0.966 |
Goodness-of-fit parameter for significantly intense reflections | 1.082 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/2006606.html
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