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Information card for entry 7214822
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Coordinates | 7214822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H29 N5 O5 |
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Calculated formula | C33 H25 N5 O4 |
Title of publication | Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation |
Authors of publication | Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 7398 |
a | 12.4871 ± 0.0005 Å |
b | 16.7057 ± 0.0007 Å |
c | 14.7175 ± 0.0007 Å |
α | 90° |
β | 90.296 ± 0.002° |
γ | 90° |
Cell volume | 3070.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1001 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1418 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7214822.html
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Users of the data should acknowledge the original authors of the
structural data.