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Information card for entry 1502182
Preview
| Coordinates | 1502182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 B2 F4 N4 |
|---|---|
| Calculated formula | C36 H32 B2 F4 N4 |
| SMILES | F[B]1(F)[n]2c(cc(c2)c2cn3c(c2)C(=c2[n](ccc2)[B]3(F)F)c2c(cc(cc2C)C)C)=C(c2n1ccc2)c1c(cc(cc1C)C)C |
| Title of publication | Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling. |
| Authors of publication | Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 2992 - 2995 |
| a | 8.4027 ± 0.0013 Å |
| b | 13.081 ± 0.002 Å |
| c | 13.958 ± 0.002 Å |
| α | 90° |
| β | 99.794 ± 0.003° |
| γ | 90° |
| Cell volume | 1511.8 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1502182.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502182.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502182.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502182.cif |
| 35492 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502182 via cif-deposit CGI script. |
1502182.cif |
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