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Information card for entry 4037135
Preview
Coordinates | 4037135.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H21 N9 |
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Calculated formula | C21 H21 N9 |
SMILES | c12c(cc3ccccc3n1nnn2)C(c1n(C(C)(C)C)nnn1)Nc1ccccc1 |
Title of publication | Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines. |
Authors of publication | Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 21 |
Pages of publication | 10576 - 10583 |
a | 20.7679 ± 0.0004 Å |
b | 9.58691 ± 0.00017 Å |
c | 23.2936 ± 0.0005 Å |
α | 90° |
β | 105.633 ± 0.002° |
γ | 90° |
Cell volume | 4466.19 ± 0.16 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 3 |
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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1494 |
Weighted residual factors for all reflections included in the refinement | 0.1569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
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/4037135.html
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structural data.