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Information card for entry 1502397
Preview
Coordinates | 1502397.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H13 Cl N2 O5 |
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Calculated formula | C22 H11 Cl N2 O4 |
SMILES | Clc1c2C(=O)c3ccccc3C(=O)c2c(c2nc3ccccc3nc12)C(=O)OC |
Title of publication | Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure. |
Authors of publication | Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 4588 - 4591 |
a | 18.4007 ± 0.0012 Å |
b | 5.1306 ± 0.0003 Å |
c | 17.9799 ± 0.0012 Å |
α | 90° |
β | 92.708 ± 0.006° |
γ | 90° |
Cell volume | 1695.53 ± 0.19 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1626 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502397.html
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