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Information card for entry 4029424
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4029424.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H9 Br O2 |
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Calculated formula | C11 H9 Br O2 |
SMILES | Brc1cc2c(=O)oc(CC)cc2cc1 |
Title of publication | Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. |
Authors of publication | Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 10 |
Pages of publication | 996 - 1005 |
a | 7.9413 ± 0.0019 Å |
b | 7.9674 ± 0.0019 Å |
c | 9.746 ± 0.002 Å |
α | 66.05 ± 0.02° |
β | 79.379 ± 0.019° |
γ | 62.93 ± 0.02° |
Cell volume | 501.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/4029424.html
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Users of the data should acknowledge the original authors of the
structural data.