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Information card for entry 4029333
Preview
Coordinates | 4029333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H24 N2 O |
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Calculated formula | C31 H24 N2 O |
SMILES | n12c3c(nc1c1ccccc1C(=C)C2c1ccccc1)c1ccccc1c1ccccc31.OC |
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 | 12.4433 ± 0.0019 Å |
b | 14.26 ± 0.002 Å |
c | 15.249 ± 0.002 Å |
α | 68.103 ± 0.009° |
β | 67.336 ± 0.011° |
γ | 70.436 ± 0.009° |
Cell volume | 2258.3 ± 0.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1189 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4029333.html
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