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Information card for entry 7157399
Preview
| Coordinates | 7157399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H41 N5 O |
|---|---|
| Calculated formula | C49 H41 N5 O |
| SMILES | O=C1c2ccccc2c2c(c(cc(c12)c1ccc(cc1)C(C)(C)C)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc(N(C)C)cc1)c1ccc(cc1)C(C)(C)C |
| Title of publication | Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates. |
| Authors of publication | Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 4198 - 4209 |
| a | 54.62 ± 0.009 Å |
| b | 13.2972 ± 0.0019 Å |
| c | 44.552 ± 0.009 Å |
| α | 90° |
| β | 122.652 ± 0.003° |
| γ | 90° |
| Cell volume | 27244 ± 8 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1452 |
| Residual factor for significantly intense reflections | 0.1246 |
| Weighted residual factors for significantly intense reflections | 0.3469 |
| Weighted residual factors for all reflections included in the refinement | 0.3619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253979 (current) | 2020-07-06 | cif/ Updating files of 7157394, 7157395, 7157396, 7157397, 7157398, 7157399, 7157400, 7157401, 7157402, 7157403, 7157404, 7157405 Original log message: Adding full bibliography for 7157394--7157405.cif. |
7157399.cif |
| 249315 | 2020-03-12 | cif/ Adding structures of 7157394, 7157395, 7157396, 7157397, 7157398, 7157399, 7157400, 7157401, 7157402, 7157403, 7157404, 7157405 via cif-deposit CGI script. |
7157399.cif |
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Users of the data should acknowledge the original authors of the
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