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Information card for entry 7243072
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Coordinates | 7243072.cif |
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Original paper (by DOI) | HTML |
Common name | 4,4'-(propane-1,3-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione) |
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Chemical name | Sq-1,3-methyldimer |
Formula | C30 H36 N4 O12 |
Calculated formula | C30 H36 N4 O12 |
Title of publication | Hierarchy of π-stacking determines the conformational preferences of bis-squaramates |
Authors of publication | Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 31 |
Pages of publication | 5331 - 5336 |
a | 8.4804 ± 0.0005 Å |
b | 13.0556 ± 0.0008 Å |
c | 13.3103 ± 0.001 Å |
α | 84.028 ± 0.006° |
β | 86.103 ± 0.006° |
γ | 89.868 ± 0.005° |
Cell volume | 1462.27 ± 0.17 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.1433 |
Residual factor for significantly intense reflections | 0.0795 |
Weighted residual factors for significantly intense reflections | 0.1752 |
Weighted residual factors for all reflections included in the refinement | 0.222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/7243072.html
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Users of the data should acknowledge the original authors of the
structural data.