Information card for entry 4035967
| Formula |
C18 H14 Cl2 N2 O3 |
| Calculated formula |
C18 H14 Cl2 N2 O3 |
| SMILES |
Clc1cc2nc3n(c2cc1Cl)C(CC(=O)OC)COc1c3cccc1 |
| Title of publication |
One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems. |
| Authors of publication |
Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
2 |
| Pages of publication |
934 - 948 |
| a |
7.1605 ± 0.0012 Å |
| b |
11.4577 ± 0.0014 Å |
| c |
22.362 ± 0.002 Å |
| α |
96.348 ± 0.009° |
| β |
99.163 ± 0.011° |
| γ |
108.189 ± 0.012° |
| Cell volume |
1695.4 ± 0.4 Å3 |
| Cell temperature |
291 K |
| Ambient diffraction temperature |
291 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 |
0.2402 |
| Residual factor for significantly intense reflections |
0.081 |
| Weighted residual factors for significantly intense reflections |
0.2017 |
| Weighted residual factors for all reflections included in the refinement |
0.276 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.986 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4035967.html
