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Information card for entry 7102019
Preview
Coordinates | 7102019.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CECR-E-HClA-2MeOH-1.5H2O@90k-10h |
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Formula | C41 H54 Cl O13.5 |
Calculated formula | C41 H54 Cl O13.5 |
Title of publication | Single-crystal-to-single-crystal E‒>Z and Z‒>E isomerizations of 3-chloroacrylic acid within the nanocavities of a supramolecular framework. |
Authors of publication | Zheng, Shao-Liang; Messerschmidt, Marc; Coppens, Philip |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 26 |
Pages of publication | 2735 - 2737 |
a | 11.3847 ± 0.0005 Å |
b | 13.386 ± 0.0007 Å |
c | 14.6572 ± 0.0006 Å |
α | 99.1048 ± 0.0016° |
β | 109.842 ± 0.0013° |
γ | 95.1665 ± 0.0015° |
Cell volume | 2049.61 ± 0.16 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 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 | 0.0966 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.1732 |
Weighted residual factors for all reflections included in the refinement | 0.1911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7102019.html
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