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Information card for entry 4001482
Preview
| Coordinates | 4001482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 11-(1-pyrenemethoxy)-undecanebromide |
|---|---|
| Formula | C28 H33 Br O |
| Calculated formula | C28 H33 Br O |
| SMILES | BrCCCCCCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |
| Title of publication | Multifunctional Nano-Architecture for Biomedical Applications |
| Authors of publication | Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1920 |
| a | 8.6232 ± 0.0004 Å |
| b | 9.2261 ± 0.0004 Å |
| c | 28.4554 ± 0.0013 Å |
| α | 90° |
| β | 95.988 ± 0.001° |
| γ | 90° |
| Cell volume | 2251.52 ± 0.18 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4001482.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001482.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001482.cif |
| 47571 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001482 via cif-deposit CGI script. |
4001482.cif |
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Users of the data should acknowledge the original authors of the
structural data.