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Information card for entry 7134578
Preview
| Coordinates | 7134578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 2 |
|---|---|
| Chemical name | bridged rhodol |
| Formula | C26 H21 Cl6 N O4 |
| Calculated formula | C26 H21 Cl6 N O4 |
| Title of publication | Design strategy for tautomerization-based small panchromatic molecules |
| Authors of publication | Tanioka, Masaru; Kitamura, Fumino; Oyama, Masaya; Shiyu, Chen; Ohishi, Yuki; Yamada, Tsuyoshi; Matsuya, Yuji |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 24.004 ± 0.0006 Å |
| b | 7.0053 ± 0.0001 Å |
| c | 31.8407 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5354.18 ± 0.19 Å3 |
| Cell temperature | 103.15 K |
| Ambient diffraction temperature | 103.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0916 |
| Residual factor for significantly intense reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.2323 |
| Weighted residual factors for all reflections included in the refinement | 0.2397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299783 (current) | 2025-05-23 | cif/ Adding structures of 7134578, 7134579 via cif-deposit CGI script. |
7134578.cif |
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