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Information card for entry 7152138
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Coordinates | 7152138.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | sarpong13 |
---|---|
Chemical name | sarpong13 |
Formula | C15 H15 Cl N2 O |
Calculated formula | C15 H15 Cl N2 O |
SMILES | C1=CC(=O)[C@@]2([C@H]3C=C[C@H]([C@](C3)(C#N)Cl)N12)CCC=C.C1=CC(=O)[C@]2([C@@H]3C=C[C@@H]([C@@](C3)(C#N)Cl)N12)CCC=C |
Title of publication | Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information. |
Authors of publication | Hardin Narayan, Alison R.; Sarpong, Richmond |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 1 |
Pages of publication | 70 - 78 |
a | 8.466 ± 0.0003 Å |
b | 7.2644 ± 0.0002 Å |
c | 22.2712 ± 0.0007 Å |
α | 90° |
β | 95.081 ± 0.001° |
γ | 90° |
Cell volume | 1364.31 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.54178 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/7152138.html
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