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Information card for entry 1506987
Preview
| Coordinates | 1506987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C40 H50 N2 O3 Si2 |
|---|---|
| Calculated formula | C40 H50 N2 O3 Si2 |
| SMILES | [Si](C([Si](C)(C)C)N1C(=O)[C@](N2C(=O)O[C@@H]([C@@H]2c2ccccc2)c2ccccc2)([C@H]1CC(C)C)Cc1ccc2ccccc2c1)(C)(C)C |
| Title of publication | Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams. |
| Authors of publication | Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 24 |
| Pages of publication | 4443 - 4446 |
| a | 13.4279 ± 0.0002 Å |
| b | 16.455 ± 0.0002 Å |
| c | 17.0828 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3774.55 ± 0.08 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506987.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506987.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506987.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506987.cif |
| 51585 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506987, 1506988 via cif-deposit CGI script. |
1506987.cif |
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Users of the data should acknowledge the original authors of the
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