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Information card for entry 2300503
Preview
| Coordinates | 2300503.cif |
|---|---|
| Structure factors | 2300503.hkl |
| Original paper (by DOI) | HTML |
| Formula | C42 H80 Br2 N2 O3 |
|---|---|
| Calculated formula | C42 H80 Br2 N2 O3 |
| Title of publication | Monolayer effect of a gemini surfactant with a rigid biphenyl spacer on its self-crystallization at the air/liquid interface |
| Authors of publication | Chen, Qibin; Yao, Junyao; Hu, Xin; Shen, Jincheng; Sheng, Yujie; Liu, Honglai |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 3 |
| a | 54.695 ± 0.002 Å |
| b | 9.8891 ± 0.0004 Å |
| c | 16.877 ± 0.0006 Å |
| α | 90° |
| β | 92.628 ± 0.005° |
| γ | 90° |
| Cell volume | 9118.9 ± 0.6 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1484 |
| Residual factor for significantly intense reflections | 0.1241 |
| Weighted residual factors for significantly intense reflections | 0.3079 |
| Weighted residual factors for all reflections included in the refinement | 0.3304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181919 (current) | 2016-04-06 | hkl/2/30/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/30/05 |
2300503.cif 2300503.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2300503.cif 2300503.hkl |
| 136476 | 2015-05-14 | cif/ hkl/ Adding structures of 2300503 via cif-deposit CGI script. |
2300503.cif 2300503.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.