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Information card for entry 7227188
Preview
| Coordinates | 7227188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H27 N O5 S |
|---|---|
| Calculated formula | C23 H27 N O5 S |
| SMILES | c1(ccc(cc1)C)S(=O)(=O)N1c2cc(cc(c2C2=C(C(CC)OCC2)C1)OC)OC |
| Title of publication | Sequential hydroarylation/Prins cyclization: An efficient strategy for the synthesis of angularly fused tetrahydro-2H-pyrano[3,4-c]quinolines |
| Authors of publication | Basireddy, Venkata Subba Reddy; reddy, rajashekhar; Kumar, ravi; Yarlagadda, suresh; reddy, ravikumar; Yadav, Jhillu S.; Balasubramanian, Sridhar |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 13.2828 ± 0.0014 Å |
| b | 14.5265 ± 0.0015 Å |
| c | 22.502 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4341.8 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188736 (current) | 2016-11-29 | cif/ Adding structures of 7227188 via cif-deposit CGI script. |
7227188.cif |
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Users of the data should acknowledge the original authors of the
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