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Information card for entry 4029332
Preview
Coordinates | 4029332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H22 N2 |
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Calculated formula | C35 H22 N2 |
SMILES | n1c2c(n3c1c1ccccc1c(c3c1ccccc1)c1ccccc1)c1c(c3ccccc23)cccc1 |
Title of publication | Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation. |
Authors of publication | Zheng, Liyao; Hua, Ruimao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 9 |
Pages of publication | 3930 - 3936 |
a | 9.635 ± 0.0016 Å |
b | 10.0387 ± 0.0016 Å |
c | 12.277 ± 0.0019 Å |
α | 83.666 ± 0.008° |
β | 88.781 ± 0.009° |
γ | 89.717 ± 0.008° |
Cell volume | 1179.9 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4029332.html
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Users of the data should acknowledge the original authors of the
structural data.