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Information card for entry 7157398
Preview
| Coordinates | 7157398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H43 N3 |
|---|---|
| Calculated formula | C45 H43 N3 |
| 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 | 11.6137 ± 0.0017 Å |
| b | 12.3195 ± 0.0016 Å |
| c | 14.2724 ± 0.0013 Å |
| α | 64.628 ± 0.011° |
| β | 72.187 ± 0.013° |
| γ | 82.043 ± 0.015° |
| Cell volume | 1756.5 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7157398.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. |
7157398.cif |
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Users of the data should acknowledge the original authors of the
structural data.