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Information card for entry 7152774
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7152774.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | gamma Phe |
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Chemical name | gamma_Phe |
Formula | C11 H15 N O2 |
Calculated formula | C11 H15 N O2 |
SMILES | [C@H](Cc1ccccc1)(CCC(=O)[O-])[NH3+] |
Title of publication | Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices. |
Authors of publication | Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2013 |
Journal volume | 11 |
Journal issue | 3 |
Pages of publication | 509 - 514 |
a | 7.757 ± 0.005 Å |
b | 6.483 ± 0.004 Å |
c | 9.907 ± 0.007 Å |
α | 90° |
β | 92.808 ± 0.012° |
γ | 90° |
Cell volume | 497.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Ambient diffracton pressure | 101.325 kPa |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1153 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1626 |
Weighted residual factors for all reflections included in the refinement | 0.189 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/7152774.html
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Users of the data should acknowledge the original authors of the
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