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Information card for entry 8107240
Preview
| Coordinates | 8107240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H54 Cl N11 O2 |
|---|---|
| Calculated formula | C60 H54 Cl N11 O2 |
| Title of publication | Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2 |
| Authors of publication | Zhou, Ruixue; Yan, Tianhao; Wang, Hongbo; Zhang, Haifei; Ding, Lifeng; Wang, Ruiyao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 873 - 876 |
| a | 9.6795 ± 0.001 Å |
| b | 14.8391 ± 0.0012 Å |
| c | 18.0298 ± 0.0014 Å |
| α | 90.71 ± 0.003° |
| β | 92.506 ± 0.003° |
| γ | 96.274 ± 0.003° |
| Cell volume | 2571.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1992 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.1871 |
| Weighted residual factors for all reflections included in the refinement | 0.2386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283933 (current) | 2023-05-22 | cif/ Adding structures of 8107240 via cif-deposit CGI script. |
8107240.cif |
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Users of the data should acknowledge the original authors of the
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