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Information card for entry 4037383
Preview
Coordinates | 4037383.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H23 N3 O3 |
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Calculated formula | C26 H23 N3 O3 |
SMILES | c1(ccc(cc1)c1c(/C=C(/c2ccc(cc2)C(C)(C)C)O)nc2c(cccc2)n1)N(=O)=O |
Title of publication | Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives. |
Authors of publication | Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 9912 - 9923 |
a | 5.7605 ± 0.0019 Å |
b | 11.654 ± 0.004 Å |
c | 16.447 ± 0.006 Å |
α | 75.46 ± 0.03° |
β | 87.95 ± 0.03° |
γ | 86.69 ± 0.03° |
Cell volume | 1066.7 ± 0.7 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 | 0.1515 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1456 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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