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Information card for entry 7233037
Preview
Coordinates | 7233037.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H10 N2 O5.786 |
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Calculated formula | C4 H10 N2 O5.786 |
Title of publication | Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone |
Authors of publication | Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 33 |
Pages of publication | 4961 |
a | 5.5006 ± 0.0008 Å |
b | 5.8258 ± 0.0008 Å |
c | 6.5611 ± 0.0009 Å |
α | 76.395 ± 0.002° |
β | 67.816 ± 0.002° |
γ | 79.145 ± 0.002° |
Cell volume | 188.07 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/7233037.html
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Users of the data should acknowledge the original authors of the
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