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Information card for entry 4519007
Preview
| Coordinates | 4519007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TFA salt of Py-BBP |
|---|---|
| Formula | C58 H36 F12 N2 O10 |
| Calculated formula | C58 H36 F12 N2 O10 |
| 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 | 14.4202 ± 0.0006 Å |
| b | 9.3653 ± 0.0004 Å |
| c | 37.5025 ± 0.0017 Å |
| α | 90° |
| β | 90.967 ± 0.002° |
| γ | 90° |
| Cell volume | 5064 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1403 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268432 (current) | 2021-09-03 | cif/ Adding structures of 4519007 via cif-deposit CGI script. |
4519007.cif |
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