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Information card for entry 7152217
Preview
Coordinates | 7152217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H18 N2 O3 |
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Calculated formula | C11 H18 N2 O3 |
SMILES | O=C1N[C@H](C(=C1)NCC(=O)OC(C)(C)C)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 | 19.2441 ± 0.001 Å |
b | 19.2441 ± 0.001 Å |
c | 14.2264 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5268.5 ± 0.6 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 80 |
Hermann-Mauguin space group symbol | I 41 |
Hall space group symbol | I 4bw |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180308 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22. |
7152217.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152217.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152217.cif |
33598 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7152217, 7152218, 7152219 via cif-deposit CGI script. |
7152217.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.