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Information card for entry 7152032
Preview
| Coordinates | 7152032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | racemic cyclo(2-hydroxy-2-((3,4,5- trimethyloxy)phenylmethyl)glycyl-prolyl |
|---|---|
| Chemical name | racemic cyclo[2-hydroxy-2-[(3,4,5-trimethyloxy)phenylmethyl]glycyl-prolyl |
| Formula | C17 H22 N2 O6 |
| Calculated formula | C17 H22 N2 O6 |
| SMILES | O(c1cc(cc(OC)c1OC)C[C@@]1(O)NC(=O)[C@@H]2N(C1=O)CCC2)C.O(c1cc(cc(OC)c1OC)C[C@]1(O)NC(=O)[C@H]2N(C1=O)CCC2)C |
| Title of publication | Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines. |
| Authors of publication | Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 21 |
| Pages of publication | 7476 - 7481 |
| a | 7.525 ± 0.003 Å |
| b | 10.852 ± 0.004 Å |
| c | 11.633 ± 0.004 Å |
| α | 103.951 ± 0.006° |
| β | 105.568 ± 0.007° |
| γ | 99.03 ± 0.006° |
| Cell volume | 862.8 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.1443 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180306 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/20. |
7152032.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152032.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152032.cif |
| 30114 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7152032, 7152033 via cif-deposit CGI script. |
7152032.cif |
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