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Information card for entry 4027127
Preview
Coordinates | 4027127.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H20 N4 O2 |
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Calculated formula | C23 H20 N4 O2 |
SMILES | o1c2c(c3nc4n(ncc4cc3c1=O)c1ccccc1)ccc(N(CC)CC)c2 |
Title of publication | Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character |
Authors of publication | Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 3475 - 3482 |
a | 9.417 ± 0.0018 Å |
b | 12.514 ± 0.003 Å |
c | 16.573 ± 0.004 Å |
α | 88.219 ± 0.01° |
β | 75.86 ± 0.01° |
γ | 80.763 ± 0.01° |
Cell volume | 1869.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0633 |
Weighted residual factors for significantly intense reflections | 0.1361 |
Weighted residual factors for all reflections included in the refinement | 0.1458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
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/4027127.html
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