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Information card for entry 1503800
Preview
| Coordinates | 1503800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cbz-{(1S,3S)-Ac5cOM}8-OMe |
|---|---|
| Formula | C65 H101 N8 O21.5 |
| Calculated formula | C65 H101 N8 O21.5 |
| SMILES | c1(ccccc1)COC(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)N[C@@]1(C[C@H](CC1)OC)C(=O)OC.O.O.O |
| Title of publication | Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers. |
| Authors of publication | Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1135 - 1137 |
| a | 17.6345 ± 0.001 Å |
| b | 19.8515 ± 0.0012 Å |
| c | 19.6951 ± 0.0011 Å |
| α | 90° |
| β | 93.955 ± 0.003° |
| γ | 90° |
| Cell volume | 6878.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1187 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503800.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503800.cif |
| 39090 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503800 via cif-deposit CGI script. |
1503800.cif |
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Users of the data should acknowledge the original authors of the
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