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Information card for entry 1572302
Preview
| Coordinates | 1572302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BC-4Np |
|---|---|
| Chemical name | 6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one) |
| Formula | C68 H36 N6 O4 |
| Calculated formula | C68 H36 N6 O4 |
| Title of publication | Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array. |
| Authors of publication | Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 35 |
| Pages of publication | 14336 - 14343 |
| a | 16.6654 ± 0.0017 Å |
| b | 38.187 ± 0.004 Å |
| c | 29.129 ± 0.003 Å |
| α | 90° |
| β | 93.15 ± 0.007° |
| γ | 90° |
| Cell volume | 18510 ± 3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.2026 |
| Residual factor for significantly intense reflections | 0.1469 |
| Weighted residual factors for significantly intense reflections | 0.3193 |
| Weighted residual factors for all reflections included in the refinement | 0.3485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295197 (current) | 2024-10-06 | cif/ Updating files of 1572302, 1572303, 1572304, 1572305 Original log message: Adding full bibliography for 1572302--1572305.cif. |
1572302.cif |
| 294014 | 2024-08-07 | cif/ Adding structures of 1572302, 1572303, 1572304, 1572305 via cif-deposit CGI script. |
1572302.cif |
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Users of the data should acknowledge the original authors of the
structural data.