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Information card for entry 4106798
Preview
| Coordinates | 4106798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 18-(pentylamino)octadecan-7-ol |
|---|---|
| Formula | C23 H49 N O |
| Calculated formula | C23 H48 N O |
| SMILES | O[C@@H](CCCCCCCCCCCNCCCCC)CCCCCC |
| Title of publication | Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels |
| Authors of publication | V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 15045 - 15054 |
| a | 64.17 ± 0.04 Å |
| b | 4.975 ± 0.003 Å |
| c | 7.285 ± 0.004 Å |
| α | 90° |
| β | 94.782 ± 0.007° |
| γ | 90° |
| Cell volume | 2318 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Ambient diffracton pressure | 101.3 kPa |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1579 |
| Residual factor for significantly intense reflections | 0.1203 |
| Weighted residual factors for significantly intense reflections | 0.356 |
| Weighted residual factors for all reflections included in the refinement | 0.3765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| 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. |
4106798.cif |
| 178813 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/67. |
4106798.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106798.cif |
| 53609 | 2012-04-20 | cif/ Adding structures of 4106798 via cif-deposit CGI script. |
4106798.cif |
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Users of the data should acknowledge the original authors of the
structural data.