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Information card for entry 7239352
Preview
| Coordinates | 7239352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 Cl N O3 |
|---|---|
| Calculated formula | C21 H18 Cl N O3 |
| Title of publication | Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate |
| Authors of publication | Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | 3581 |
| a | 9.4104 ± 0.001 Å |
| b | 9.6627 ± 0.0009 Å |
| c | 10.6311 ± 0.001 Å |
| α | 78.191 ± 0.005° |
| β | 66.629 ± 0.006° |
| γ | 89.263 ± 0.005° |
| Cell volume | 866.08 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244665 (current) | 2019-11-28 | cif/ Adding structures of 7239352, 7239353 via cif-deposit CGI script. |
7239352.cif |
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Users of the data should acknowledge the original authors of the
structural data.