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Information card for entry 2227724
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| Coordinates | 2227724.cif |
|---|---|
| Structure factors | 2227724.hkl |
| Original IUCr paper | HTML |
| Chemical name | (-)-(<i>S</i>)-<i>N</i>,<i>N</i>'-Bis[1-(1-naphthyl)ethyl]ethanediamide |
|---|---|
| Formula | C26 H24 N2 O2 |
| Calculated formula | C26 H24 N2 O2 |
| SMILES | O=C(C(=O)N[C@H](c1cccc2c1cccc2)C)N[C@H](c1cccc2c1cccc2)C |
| Title of publication | (‒)-(<i>S</i>)-<i>N</i>,<i>N</i>'-Bis[1-(1-naphthyl)ethyl]oxalamide |
| Authors of publication | Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2988 |
| a | 11.4489 ± 0.0011 Å |
| b | 11.4489 ± 0.0011 Å |
| c | 28.35 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3218.2 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0871 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77. |
2227724.cif 2227724.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227724.cif 2227724.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227724.cif 2227724.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227724.cif 2227724.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227724.cif 2227724.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227724.cif 2227724.hkl |
| 4761 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227724 via cif-deposit CGI script. |
2227724.cif |
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Users of the data should acknowledge the original authors of the
structural data.