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Information card for entry 7152219
Preview
Coordinates | 7152219.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 Cl3 N3 O4 |
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Calculated formula | C20 H30 Cl3 N3 O4 |
SMILES | ClC(Cl)Cl.O=C1N[C@H]([C@@H](N2C(=O)C[C@H](N3C(=O)C=C(OC(C)(C)C)[C@@H]3C)[C@@H]2C)C1)C |
Title of publication | Omegatides: constrained analogs of peptide primary sequence. |
Authors of publication | Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 5 |
Pages of publication | 921 - 924 |
a | 13.1883 ± 0.0006 Å |
b | 6.5039 ± 0.0003 Å |
c | 14.5084 ± 0.0007 Å |
α | 90° |
β | 100.899 ± 0.003° |
γ | 90° |
Cell volume | 1222.02 ± 0.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7152219.html
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structural data.