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Information card for entry 2228922
Preview
Coordinates | 2228922.cif |
---|---|
Structure factors | 2228922.hkl |
Original IUCr paper | HTML |
Chemical name | <i>rac</i>-(1<i>R</i>*,2<i>S</i>*,3<i>S</i>*)-Diethyl 4-methyl-2-phenyl-6-(2-phenylhydrazinylidene)cyclohex-4-ene-1,3-dicarboxylate |
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Formula | C25 H28 N2 O4 |
Calculated formula | C25 H28 N2 O4 |
SMILES | O(C(=O)[C@H]1[C@@H]([C@H](C(=CC1=NNc1ccccc1)C)C(=O)OCC)c1ccccc1)CC.O(C(=O)[C@@H]1[C@H]([C@@H](C(=CC1=NNc1ccccc1)C)C(=O)OCC)c1ccccc1)CC |
Title of publication | <i>rac</i>-(1<i>R</i>*,2<i>S</i>*,3<i>S</i>*)-Diethyl 4-methyl-2-phenyl-6-(2-phenylhydrazinylidene)cyclohex-4-ene-1,3-dicarboxylate |
Authors of publication | Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | o153 |
a | 11.5271 ± 0.001 Å |
b | 13.4599 ± 0.0012 Å |
c | 14.4479 ± 0.0013 Å |
α | 90° |
β | 93.342 ± 0.002° |
γ | 90° |
Cell volume | 2237.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0736 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1485 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228922.html
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Users of the data should acknowledge the original authors of the
structural data.