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Information card for entry 4124327
Preview
| Coordinates | 4124327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H32 B2 F30 N4 O4 |
|---|---|
| Calculated formula | C76 H32 B2 F30 N4 O4 |
| Title of publication | Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation. |
| Authors of publication | Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 30 |
| Pages of publication | 9519 - 9522 |
| a | 11.374 ± 0.002 Å |
| b | 20.799 ± 0.004 Å |
| c | 14.4 ± 0.003 Å |
| α | 90° |
| β | 99.032 ± 0.003° |
| γ | 90° |
| Cell volume | 3364.3 ± 1.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.089 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154229 (current) | 2015-09-04 | cif/ Adding structures of 4124327 via cif-deposit CGI script. |
4124327.cif |
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