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Information card for entry 7214763
Preview
| Coordinates | 7214763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H80 N2 O6 |
|---|---|
| Calculated formula | C54 H80 N2 O6 |
| Title of publication | Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility |
| Authors of publication | Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 21 |
| Pages of publication | 7258 |
| a | 14.993 ± 0.0005 Å |
| b | 17.182 ± 0.0006 Å |
| c | 20.278 ± 0.0005 Å |
| α | 90° |
| β | 104.334 ± 0.002° |
| γ | 90° |
| Cell volume | 5061.2 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0997 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180478 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47. |
7214763.cif |
| 110964 | 2014-04-20 | cif/ Adding structures of 7214759, 7214760, 7214761, 7214762, 7214763 via cif-deposit CGI script. |
7214763.cif |
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Users of the data should acknowledge the original authors of the
structural data.