Information card for entry 1553227
| Formula |
C24 H14 Cl2 N2 O2 |
| Calculated formula |
C24 H14 Cl2 N2 O2 |
| SMILES |
Clc1ccc(N2c3ccccc3c3n(c(cc3C2=O)C=O)c2ccc(Cl)cc2)cc1 |
| Title of publication |
Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives |
| Authors of publication |
Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2016 |
| Journal volume |
3 |
| Journal issue |
3 |
| Pages of publication |
344 |
| a |
6.3775 ± 0.0005 Å |
| b |
12.1686 ± 0.001 Å |
| c |
13.4121 ± 0.0008 Å |
| α |
80.819 ± 0.006° |
| β |
88.955 ± 0.005° |
| γ |
75.537 ± 0.007° |
| Cell volume |
994.7 ± 0.13 Å3 |
| Cell temperature |
291 ± 2 K |
| Ambient diffraction temperature |
291.15 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 |
0.0623 |
| Residual factor for significantly intense reflections |
0.0475 |
| Weighted residual factors for significantly intense reflections |
0.1165 |
| Weighted residual factors for all reflections included in the refinement |
0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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