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Information card for entry 7217997
Preview
Coordinates | 7217997.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21.57 N3 O9.28 |
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Calculated formula | C18 H21 N3 O9 |
Title of publication | Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids |
Authors of publication | Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 35 |
Pages of publication | 8243 |
a | 18.3488 ± 0.0005 Å |
b | 18.3488 ± 0.0005 Å |
c | 11.1379 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3247.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0889 |
Weighted residual factors for significantly intense reflections | 0.2394 |
Weighted residual factors for all reflections included in the refinement | 0.2413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7216181 |
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/7217997.html
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