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Information card for entry 1502133
Preview
| Coordinates | 1502133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H29 Br N2 O7 |
|---|---|
| Calculated formula | C32 H29 Br N2 O7 |
| SMILES | Brc1cc2c(cc1)N(C(=O)[C@]2(c1ccccc1)C[C@@H](C(=O)OCC)N1C(=O)c2c(C1=O)cccc2)C(=O)OC(C)(C)C |
| Title of publication | Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade. |
| Authors of publication | Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2290 - 2293 |
| a | 10.774 ± 0.0006 Å |
| b | 14.2273 ± 0.0008 Å |
| c | 19.8345 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3040.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502133.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502133.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502133.cif |
| 35451 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502133 via cif-deposit CGI script. |
1502133.cif |
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Users of the data should acknowledge the original authors of the
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