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Information card for entry 2240398
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| Coordinates | 2240398.cif |
|---|---|
| Structure factors | 2240398.hkl |
| Original paper (by DOI) | HTML |
| Common name | Benserazide substitute |
|---|---|
| Chemical name | 2,2'-Oxybis(4-methylquinoline) |
| Formula | C20 H16 N2 O |
| Calculated formula | C20 H16 N2 O |
| SMILES | O(c1nc2c(c(c1)C)cccc2)c1nc2c(c(c1)C)cccc2 |
| Title of publication | Crystal structure of 2,2'-oxybis(4-methylquinoline) |
| Authors of publication | Tilborg, Anaelle |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 180 - 183 |
| a | 7.8858 ± 0.0005 Å |
| b | 7.9226 ± 0.0008 Å |
| c | 13.0182 ± 0.0013 Å |
| α | 104.267 ± 0.009° |
| β | 103.576 ± 0.007° |
| γ | 91.967 ± 0.007° |
| Cell volume | 762.54 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240398.cif 2240398.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240398.cif 2240398.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240398.cif 2240398.hkl |
| 129975 | 2015-01-18 | cif/ hkl/ Adding structures of 2240398 via cif-deposit CGI script. |
2240398.cif 2240398.hkl |
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Users of the data should acknowledge the original authors of the
structural data.