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Information card for entry 7230477
Preview
| Coordinates | 7230477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | BCOD-bisANBODIPYtetraester |
|---|---|
| Formula | C106 H130 B2 Cl6 F4 N4 O10 |
| Calculated formula | C106 H130 B2 Cl6 F4 N4 O10 |
| Title of publication | Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes |
| Authors of publication | Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 25 |
| Pages of publication | 14072 |
| a | 18.82 ± 0.005 Å |
| b | 9.636 ± 0.003 Å |
| c | 29.019 ± 0.008 Å |
| α | 90° |
| β | 99.313 ± 0.004° |
| γ | 90° |
| Cell volume | 5193 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.2083 |
| Weighted residual factors for all reflections included in the refinement | 0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230477.cif |
| 207363 | 2018-04-16 | cif/ Adding structures of 7230476, 7230477, 7230478, 7230479, 7230480 via cif-deposit CGI script. |
7230477.cif |
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Users of the data should acknowledge the original authors of the
structural data.