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Information card for entry 4112657
Preview
Coordinates | 4112657.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C18 H33 N2 O4 |
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Calculated formula | C18 H33 N2 O4 |
SMILES | O=C(OC(C)(C)C)NO[C@@H](CC(=O)NC1CCCCC1)C=C(C)C |
Title of publication | Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids |
Authors of publication | Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 6956 - 6966 |
a | 10.143 ± 0.002 Å |
b | 11.246 ± 0.002 Å |
c | 18.721 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2135.5 ± 0.7 Å3 |
Cell temperature | 301 ± 2 K |
Ambient diffraction temperature | 301 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0833 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1708 |
Weighted residual factors for all reflections included in the refinement | 0.1824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4112657.cif |
178897 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/26. |
4112657.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112657.cif |
65066 | 2012-09-04 | cif/ Adding structures of 4112657 via cif-deposit CGI script. |
4112657.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.