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Information card for entry 4519008
Preview
| Coordinates | 4519008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Py-BBP |
|---|---|
| Formula | C52 H34 Cl6 N2 O2 |
| Calculated formula | C52 H34 Cl6 N2 O2 |
| Title of publication | Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. |
| Authors of publication | Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 21113 - 21124 |
| a | 8.6204 ± 0.0005 Å |
| b | 9.516 ± 0.0005 Å |
| c | 14.2523 ± 0.0009 Å |
| α | 108.353 ± 0.002° |
| β | 100.322 ± 0.002° |
| γ | 94.923 ± 0.002° |
| Cell volume | 1078.97 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268433 (current) | 2021-09-03 | cif/ Adding structures of 4519008 via cif-deposit CGI script. |
4519008.cif |
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Users of the data should acknowledge the original authors of the
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