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Information card for entry 1546407
Preview
| Coordinates | 1546407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 Br4 N2 |
|---|---|
| Calculated formula | C24 H12 Br4 N2 |
| SMILES | Brc1ccc2n(n3c4ccc(Br)cc4c4cc(Br)ccc34)c3c(c2c1)cc(Br)cc3 |
| Title of publication | N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption |
| Authors of publication | Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan |
| Journal of publication | Macromolecules |
| Year of publication | 2017 |
| a | 10.5047 ± 0.0008 Å |
| b | 14.9725 ± 0.0011 Å |
| c | 27.75 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4364.6 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198177 (current) | 2017-06-28 | cif/ Adding structures of 1546407 via cif-deposit CGI script. |
1546407.cif |
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