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Information card for entry 1550518
Preview
| Coordinates | 1550518.cif |
|---|---|
| Structure factors | 1550518.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene |
|---|---|
| Formula | C27 H17 Cl O |
| Calculated formula | C27 H17 Cl O |
| SMILES | Clc1ccc(C2c3c4ccccc4ccc3Oc3c2c2c(cc3)cccc2)cc1 |
| Title of publication | 14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene |
| Authors of publication | Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x181846 |
| a | 14.0201 ± 0.0007 Å |
| b | 17.4488 ± 0.0008 Å |
| c | 7.8775 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1927.1 ± 0.15 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.6074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213290 (current) | 2019-01-24 | cif/ hkl/ Adding structures of 1550518 via cif-deposit CGI script. |
1550518.cif 1550518.hkl |
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Users of the data should acknowledge the original authors of the
structural data.