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Information card for entry 7242595
Preview
| Coordinates | 7242595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 7-Amino-4-methylcoumarin |
|---|---|
| Formula | C10 H9 N O2 |
| Calculated formula | C10 H9 N O2 |
| SMILES | o1c2c(c(cc1=O)C)ccc(N)c2 |
| Title of publication | A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin |
| Authors of publication | Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 34 |
| Pages of publication | 5801 - 5804 |
| a | 6.9361 ± 0.0007 Å |
| b | 7.1569 ± 0.0006 Å |
| c | 9.5654 ± 0.0009 Å |
| α | 71.825 ± 0.003° |
| β | 84.915 ± 0.003° |
| γ | 69.902 ± 0.003° |
| Cell volume | 423.58 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0803 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1731 |
| Weighted residual factors for all reflections included in the refinement | 0.1973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268676 (current) | 2021-09-06 | cif/ Updating files of 7242594, 7242595 Original log message: Adding full bibliography for 7242594--7242595.cif. |
7242595.cif |
| 263879 | 2021-04-06 | cif/ Adding structures of 7242594, 7242595 via cif-deposit CGI script. |
7242595.cif |
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Users of the data should acknowledge the original authors of the
structural data.