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Information card for entry 1553771
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553771.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H52 Cl4 N16 O2 |
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Calculated formula | C34 H52 Cl4 N16 O2 |
SMILES | O(CCCC)c1nc2nc(n1)N(N(C)c1nc(N(N(C)c3nc(OCCCC)nc(n3)N(N(C)c3nc(N(N2C)C)ccc3)C)C)ccc1)C.ClCCl.ClCCl |
Title of publication | Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines |
Authors of publication | Liang, Dong-Dong; Wang, Mei-Xiang |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 7 |
Pages of publication | 1425 |
a | 9.8942 ± 0.0018 Å |
b | 11.644 ± 0.002 Å |
c | 20.487 ± 0.004 Å |
α | 87.078 ± 0.008° |
β | 78.302 ± 0.009° |
γ | 68.651 ± 0.006° |
Cell volume | 2152 ± 0.7 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1208 |
Residual factor for significantly intense reflections | 0.1118 |
Weighted residual factors for significantly intense reflections | 0.3058 |
Weighted residual factors for all reflections included in the refinement | 0.3152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
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/1553771.html
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Users of the data should acknowledge the original authors of the
structural data.