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Information card for entry 4031916
Preview
Coordinates | 4031916.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 N2 O |
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Calculated formula | C18 H14 N2 O |
SMILES | O=C1N(C(c2ccccc2)C1)c1c2ncccc2ccc1 |
Title of publication | Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis. |
Authors of publication | Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 3 |
Pages of publication | 956 - 968 |
a | 12.2122 ± 0.0014 Å |
b | 9.7378 ± 0.0012 Å |
c | 11.5756 ± 0.0014 Å |
α | 90° |
β | 90.414 ± 0.002° |
γ | 90° |
Cell volume | 1376.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1239 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4031916.html
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