Information card for entry 1506525
| Formula |
C38 H52 N4 O4 |
| Calculated formula |
C38 H52 N4 O4 |
| SMILES |
O=C(OCC)c1[nH]c(c(c1CC)CC)c1nc(c(c1CC)CC)=c1nc(c2[nH]c(c(c2CC)CC)C(=O)OCC)c(c1CC)CC |
| Title of publication |
Facile syntheses of quater-, penta-, and sexipyrroles. |
| Authors of publication |
Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M. |
| Journal of publication |
Organic letters |
| Year of publication |
2005 |
| Journal volume |
7 |
| Journal issue |
10 |
| Pages of publication |
1887 - 1890 |
| a |
7.8283 ± 0.00001 Å |
| b |
10.626 ± 0.0002 Å |
| c |
11.105 ± 0.0002 Å |
| α |
89.465 ± 0.001° |
| β |
75.808 ± 0.001° |
| γ |
72.908 ± 0.001° |
| Cell volume |
854.04 ± 0.02 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153 ± 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 |
0.0623 |
| Residual factor for significantly intense reflections |
0.041 |
| Weighted residual factors for significantly intense reflections |
0.0917 |
| Weighted residual factors for all reflections included in the refinement |
0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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