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Information card for entry 7127060
Preview
Coordinates | 7127060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H23 N3 |
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Calculated formula | C26 H23 N3 |
Title of publication | Ru(II)-Catalyzed and acidity-controlled tunable [5+1]/[5+2] annulation for building ring-fused quinazolines and 1,3-benzodiazepines. |
Authors of publication | Yang, Yurong; Zhang, Kaixin; Yang, Jian; Zhu, Guoxun; Chen, Weijie; Zhang, Chao; Zhou, Zhi; Yi, Wei |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 76 |
Pages of publication | 11315 - 11318 |
a | 9.038 ± 0.0001 Å |
b | 10.7196 ± 0.0001 Å |
c | 10.8654 ± 0.0001 Å |
α | 97.184 ± 0.001° |
β | 94.287 ± 0.001° |
γ | 111.2 ± 0.001° |
Cell volume | 965.509 ± 0.018 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0521 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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