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Information card for entry 1554563
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Coordinates | 1554563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 Br N2 |
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Calculated formula | C18 H11 Br N2 |
Title of publication | Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)‒H and C(sp3)‒H bonds of carboxamides |
Authors of publication | Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 4 |
Pages of publication | 544 |
a | 26.203 ± 0.004 Å |
b | 10.644 ± 0.0015 Å |
c | 30.852 ± 0.004 Å |
α | 90° |
β | 106.633 ± 0.002° |
γ | 90° |
Cell volume | 8245 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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