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Information card for entry 7241108
Preview
Coordinates | 7241108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 Cl4 N4 O4 |
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Calculated formula | C24 H28 Cl4 N4 O4 |
Title of publication | Counterintuitive torsional barriers controlled by hydrogen bonding. |
Authors of publication | Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 36 |
Pages of publication | 20602 - 20611 |
a | 9.8228 ± 0.0004 Å |
b | 15.994 ± 0.0008 Å |
c | 18.5143 ± 0.0011 Å |
α | 90° |
β | 104.008 ± 0.002° |
γ | 90° |
Cell volume | 2822.2 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0624 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1511 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7241108.html
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