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Information card for entry 4036764
Preview
Coordinates | 4036764.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H16 Br2 N2 O2 |
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Calculated formula | C19 H16 Br2 N2 O2 |
SMILES | Brc1ccc(cc1)C1=CCN(N=C1C(=O)OCC)c1ccc(Br)cc1 |
Title of publication | Silver(I)-Catalyzed Tandem Sigamatropic Rearrangement/1,3-H Shift/6π Aza-electrocyclization of N-Propargylic Hydrazones: A Mild Synthetic Route to 1,6-Dihydropyridazines. |
Authors of publication | Ding, Zong-Cang; Ju, Lu-Chuan; Yang, Ying; An, Xiao-Ming; Zhou, Yun-Bing; Li, Ren-Hao; Tang, Hai-Tao; Ding, Cheng-Ke; Zhan, Zhuang-Ping |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3936 - 3941 |
a | 10.5666 ± 0.0003 Å |
b | 7.77628 ± 0.00017 Å |
c | 11.6785 ± 0.0003 Å |
α | 90° |
β | 109.491 ± 0.003° |
γ | 90° |
Cell volume | 904.62 ± 0.04 Å3 |
Cell temperature | 174 ± 2 K |
Ambient diffraction temperature | 174 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0242 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4036764.html
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