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Information card for entry 4102030
Preview
| Coordinates | 4102030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H29 F N O5 P |
|---|---|
| Calculated formula | C19 H29 F N O5 P |
| SMILES | P(=O)(OCC)(OCC)[C@@H]1N[C@@H]([C@H](C1)C(=O)OC(C)(C)C)c1ccc(F)cc1 |
| Title of publication | Chiral Silver Amide-Catalyzed Enantioselective [3 + 2] Cycloaddition of α-Aminophosphonates with Olefins |
| Authors of publication | Yasuhiro Yamashita; Xun-Xiang Guo; Ryuta Takashita; Shū Kobayashi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 3262 - 3263 |
| a | 8.2992 ± 0.0005 Å |
| b | 9.2248 ± 0.0013 Å |
| c | 27.3952 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2097.3 ± 0.3 Å3 |
| Cell temperature | 88.1 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 significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102030.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4102030.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4102030.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102030.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102030.cif |
| 24852 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4102030 via cif-deposit CGI script. |
4102030.cif |
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Users of the data should acknowledge the original authors of the
structural data.