Information card for entry 4035970
| Formula |
C24 H22 N2 O3 |
| Calculated formula |
C24 H22 N2 O3 |
| SMILES |
O1c2c(c3nc4cc(c(cc4n3C(C1)CC(=O)OC)C)C)c1c(cc2)cccc1 |
| 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 |
12.306 ± 0.003 Å |
| b |
9.758 ± 0.002 Å |
| c |
17.335 ± 0.005 Å |
| α |
90° |
| β |
105.34 ± 0.03° |
| γ |
90° |
| Cell volume |
2007.5 ± 0.9 Å3 |
| Cell temperature |
291 K |
| Ambient diffraction temperature |
291 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
I 1 a 1 |
| Hall space group symbol |
I -2ya |
| Residual factor for all reflections |
0.2353 |
| Residual factor for significantly intense reflections |
0.0762 |
| Weighted residual factors for significantly intense reflections |
0.1542 |
| Weighted residual factors for all reflections included in the refinement |
0.2567 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.874 |
| 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/4035970.html
