Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503799
Preview
| Coordinates | 1503799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cbz-{(1S,3S)-Ac5cOM}6-OMe |
|---|---|
| Formula | C54 H80 N6 O16 |
| Calculated formula | C54 H80 N6 O16 |
| SMILES | c1(ccccc1)COC(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)N[C@@]1(C[C@@H](OC)CC1)C(=O)OC.O=C(C)C |
| 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 | 13.96 ± 0.01 Å |
| b | 14.59 ± 0.02 Å |
| c | 15.59 ± 0.02 Å |
| α | 115.43 ± 0.04° |
| β | 94.94 ± 0.04° |
| γ | 96.77 ± 0.04° |
| Cell volume | 2814 ± 6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.7107 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. |
1503799.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503799.cif |
| 39089 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503799 via cif-deposit CGI script. |
1503799.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.