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Information card for entry 4038075
Preview
Coordinates | 4038075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H27 N O3 |
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Calculated formula | C19 H27 N O3 |
SMILES | C1Cc2cc(c(cc2[C@@H]2[C@H](CC(CN12)(C)C)C(=O)C)OC)OC.C1Cc2cc(c(cc2[C@H]2[C@@H](CC(CN12)(C)C)C(=O)C)OC)OC |
Title of publication | Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines. |
Authors of publication | Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 7 |
Pages of publication | 4712 - 4729 |
a | 9.1272 ± 0.0002 Å |
b | 9.8101 ± 0.0002 Å |
c | 19.409 ± 0.0005 Å |
α | 81.582 ± 0.001° |
β | 82.675 ± 0.001° |
γ | 85.338 ± 0.001° |
Cell volume | 1701.63 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0562 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038075.html
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