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Information card for entry 1542471
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| Coordinates | 1542471.cif |
|---|---|
| Structure factors | 1542471.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one) |
|---|---|
| Formula | C18 H26 N2 O2 |
| Calculated formula | C18 H26 N2 O2 |
| Title of publication | 3,3'-[(Cyclohexane-1,4-diyl)bis(azanediyl)]bis(cyclohex-2-en-1-one) |
| Authors of publication | Abdelhamida, Antar A.; Mohamed, Shaaban K.; Simpson, Jim |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x152175 |
| a | 8.1839 ± 0.0002 Å |
| b | 9.1461 ± 0.0003 Å |
| c | 11.7669 ± 0.0004 Å |
| α | 106.557 ± 0.003° |
| β | 97.687 ± 0.002° |
| γ | 96.63 ± 0.002° |
| Cell volume | 825.65 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542471.cif 1542471.hkl |
| 177519 | 2016-03-04 | cif/ Updating files of 1542471 Original log message: Adding full bibliography for 1542471.cif. |
1542471.cif 1542471.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542471.cif 1542471.hkl |
| 176527 | 2016-02-17 | cif/ hkl/ Adding structures of 1542471 via cif-deposit CGI script. |
1542471.cif 1542471.hkl |
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Users of the data should acknowledge the original authors of the
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