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Information card for entry 7115776
Preview
Coordinates | 7115776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 N2 O5 S2 |
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Calculated formula | C32 H30 N2 O5 S2 |
SMILES | S(=O)(=O)(N1c2ccccc2[C@H]2[C@@H]3CC(=O)C=C[C@]43CCN(S(=O)(=O)c3ccc(cc3)C)CC4=C12)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2[C@@H]2[C@H]3CC(=O)C=C[C@@]43CCN(S(=O)(=O)c3ccc(cc3)C)CC4=C12)c1ccc(cc1)C |
Title of publication | Synthesis of nitrogen-containing fused-polycyclic compounds from tyramine derivatives using phenol dearomatization and cascade cyclization |
Authors of publication | Takuya Yokosaka; Tetsuhiro Nemoto; Hiroki Nakayama; Naoki Shiga; Yasumasa Hamada |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 12775 |
a | 10.76675 ± 0.00019 Å |
b | 17.892 ± 0.0004 Å |
c | 14.4006 ± 0.0003 Å |
α | 90° |
β | 92.0238 ± 0.0009° |
γ | 90° |
Cell volume | 2772.38 ± 0.1 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 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 significantly intense reflections | 0.0593 |
Weighted residual factors for all reflections included in the refinement | 0.148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 1.54187 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/7115776.html
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