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Information card for entry 7229304
Preview
| Coordinates | 7229304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis-3-methoxy triphenylamine-dicyanophenyl |
|---|---|
| Formula | C107 H84 N8 O4 |
| Calculated formula | C107 H84 N8 O4 |
| Title of publication | Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing |
| Authors of publication | Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.743 ± 0.0019 Å |
| b | 8.591 ± 0.0017 Å |
| c | 48.988 ± 0.01 Å |
| α | 90° |
| β | 93.39 ± 0.03° |
| γ | 90° |
| Cell volume | 4093.2 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.63 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201871 (current) | 2017-10-10 | cif/ Adding structures of 7229303, 7229304 via cif-deposit CGI script. |
7229304.cif |
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