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Information card for entry 7153206
Preview
Coordinates | 7153206.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 Br F3 N3 O3 |
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Calculated formula | C20 H17 Br F3 N3 O3 |
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 | 11.016 ± 0.005 Å |
b | 7.612 ± 0.003 Å |
c | 12.92 ± 0.005 Å |
α | 90° |
β | 102.13 ± 0.007° |
γ | 90° |
Cell volume | 1059.2 ± 0.8 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0887 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0954 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7153206.html
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