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Information card for entry 1506975
Preview
| Coordinates | 1506975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H30 F3 N O5 S |
|---|---|
| Calculated formula | C28 H30 F3 N O5 S |
| SMILES | S(=O)(=O)([O-])C(F)(F)F.O=C(OC)[C@H]1[C@H]([NH2+][C@H](C)c2ccccc2)CC(C1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides. |
| Authors of publication | Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 24 |
| Pages of publication | 4411 - 4414 |
| a | 6.4665 ± 0.0004 Å |
| b | 17.5592 ± 0.001 Å |
| c | 23.0312 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2615.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506975.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. |
1506975.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506975.cif |
| 51583 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506974, 1506975, 1506976 via cif-deposit CGI script. |
1506975.cif |
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Users of the data should acknowledge the original authors of the
structural data.