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Information card for entry 1543050
Preview
Coordinates | 1543050.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H20 N4 O2 |
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Calculated formula | C17 H20 N4 O2 |
SMILES | O1[C@H](C([C@](C2=C1CCCC2)(C#N)C(=O)N)(C#N)C#N)CC(C)C.O1[C@@H](C([C@@](C2=C1CCCC2)(C#N)C(=O)N)(C#N)C#N)CC(C)C |
Title of publication | Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives. |
Authors of publication | Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1940 - 1943 |
a | 11.3656 ± 0.0004 Å |
b | 11.969 ± 0.0005 Å |
c | 13.0198 ± 0.0004 Å |
α | 80.827 ± 0.003° |
β | 85.462 ± 0.003° |
γ | 76.099 ± 0.003° |
Cell volume | 1695.75 ± 0.11 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1628 |
Weighted residual factors for all reflections included in the refinement | 0.1703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
182525 (current) | 2016-05-04 | cif/ Updating files of 1543048, 1543049, 1543050 Original log message: Adding full bibliography for 1543048--1543050.cif. |
1543050.cif |
181939 | 2016-04-07 | cif/ Adding structures of 1543050 via cif-deposit CGI script. |
1543050.cif |
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Users of the data should acknowledge the original authors of the
structural data.