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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503800.html
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Users of the data should acknowledge the original authors of the
structural data.