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Information card for entry 7245008
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Coordinates | 7245008.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid |
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Formula | C24 H21 N O4 |
Calculated formula | C24 H21 N O4 |
Title of publication | Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding |
Authors of publication | Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 16.5185 ± 0.0006 Å |
b | 9.3246 ± 0.0003 Å |
c | 12.658 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1949.69 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7245008.html
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