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Information card for entry 7153204
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Coordinates | 7153204.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Peptide |
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Formula | C23 H32 N4 O5 |
Calculated formula | C23 H32 N4 O5 |
SMILES | O=C(OC(C)(C)C)N1[C@@H](CCC1)C(=O)Nc1ccccc1C(=O)N1CCC[C@H]1C(=O)NC |
Title of publication | Ester vs. amide on folding: a case study with a 2-residue synthetic peptide. |
Authors of publication | Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2013 |
Journal volume | 11 |
Journal issue | 48 |
Pages of publication | 8348 - 8356 |
a | 8.9732 ± 0.0008 Å |
b | 10.4292 ± 0.0009 Å |
c | 25.653 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2400.7 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1041 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7153204.html
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Users of the data should acknowledge the original authors of the
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