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Information card for entry 1505337
Preview
Coordinates | 1505337.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H28 Cl N2 O5 |
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Calculated formula | C27 H29 Cl N2 O5 |
SMILES | Clc1ccc([C@@H](N2C[C@@]3(C[C@@H]4[C@@]3(CC2=O)c2ccc(OC)cc2OC4=O)C)C(=O)NC(C)C)cc1.Clc1ccc([C@H](N2C[C@]3(C[C@H]4[C@]3(CC2=O)c2ccc(OC)cc2OC4=O)C)C(=O)NC(C)C)cc1 |
Title of publication | Synthesis of novel and uniquely shaped 3-azabicyclo[4.2.0]octan-4-one derivatives by sequential Ugi/[2+2] ene-enone photocycloadditions. |
Authors of publication | Akritopoulou-Zanze, Irini; Whitehead, Alan; Waters, Jan E.; Henry, Rodger F.; Djuric, Stevan W. |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 1299 - 1302 |
a | 12.239 ± 0.007 Å |
b | 22.483 ± 0.012 Å |
c | 9.188 ± 0.005 Å |
α | 90° |
β | 103.324 ± 0.012° |
γ | 90° |
Cell volume | 2460 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.3085 |
Residual factor for significantly intense reflections | 0.1197 |
Weighted residual factors for significantly intense reflections | 0.2337 |
Weighted residual factors for all reflections included in the refinement | 0.3103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1505337.html
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Users of the data should acknowledge the original authors of the
structural data.